Y6V
Summary
| Name: | ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide |
| Formula: | C17 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 328.386 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O3S/c20-16-10-22-15-8-11(3-6-14(15)18-16)17(21)19(12-4-5-12)9-13-2-1-7-23-13/h1-3,6-8,12H,4-5,9-10H2,(H,18,20) |
| InChIKey | InChI | 1.03 | XPHOPAPMJBSLFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1COc2cc(ccc2N1)C(=O)N(Cc3sccc3)C4CC4 |
| SMILES | CACTVS | 3.385 | O=C1COc2cc(ccc2N1)C(=O)N(Cc3sccc3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4 |
