Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C=1CCCC=1C(=O)NC1=SCCC1c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C17H19NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,12,22H,4,7-10H2,(H,18,19)(H,20,21)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | XDQKNESBEHMSDU-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(CCC1)C(=O)NC2=[SH]CC[C@@H]2c3ccccc3 |
SMILES | CACTVS | 3.385 | OC(=O)C1=C(CCC1)C(=O)NC2=[SH]CC[CH]2c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCS=C2NC(=O)C3=C(CCC3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCS=C2NC(=O)C3=C(CCC3)C(=O)O |