L8T
Summary
| Name: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
| Formula: | C18 H21 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 363.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC |
| InChI | InChI | 1.06 | InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22) |
| InChIKey | InChI | 1.06 | KMYGWMFALCXVML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1c2CCCCc2sc1NC(=O)C3=C(CCC3)C(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1c2CCCCc2sc1NC(=O)C3=C(CCC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c2c(sc1NC(=O)C3=C(CCC3)C(=O)O)CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c2c(sc1NC(=O)C3=C(CCC3)C(=O)O)CCCC2 |
