45K
Summary
| Name: | (8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one |
| Formula: | C18 H13 N3 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 383.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one |
| OpenEye OEToolkits | 1.7.6 | (8Z)-8-[[[2,2-bis(oxidanylidene)-1,3-dihydro-2-benzothiophen-5-yl]amino]methylidene]-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S2(=O)Cc1cc(ccc1C2)N\C=C3/C(=O)Nc5c3c4scnc4cc5 |
| InChI | InChI | 1.03 | InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6- |
| InChIKey | InChI | 1.03 | DOXLZSAKRJWFJV-MLPAPPSSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C\1Nc2ccc3ncsc3c2C\1=C/Nc4ccc5C[S](=O)(=O)Cc5c4 |
| SMILES | CACTVS | 3.370 | O=C1Nc2ccc3ncsc3c2C1=CNc4ccc5C[S](=O)(=O)Cc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1NC=C3c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2 |
