| PDB CCD ID: | A1BCK |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C9 H11 N O3 S2 |
| InChI: | InChI=1S/C9H11NO3S2/c11-9(8-2-1-4-14-8)10-7-3-5-15(12,13)6-7/h1-2,4,7H,3,5-6H2,(H,10,11)/t7-/m0/s1 |
| InChIKey: | QZITWTJGIMOGOA-ZETCQYMHSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 14.52 | O=C(NC1CCS(=O)(=O)C1)c1cccs1 | | CACTVS 3.385 | O=C(N[C@H]1CC[S](=O)(=O)C1)c2sccc2 | | OpenEye OEToolkits 3.1.0.0 | c1cc(sc1)C(=O)NC2CCS(=O)(=O)C2 | | OpenEye OEToolkits 3.1.0.0 | c1cc(sc1)C(=O)N[C@H]2CCS(=O)(=O)C2 | | CACTVS 3.385 | O=C(N[CH]1CC[S](=O)(=O)C1)c2sccc2 |
|
| Name: | N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide |
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