Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2N1C(=C(CSC1C2(OC)NC(=O)Cc3sccc3)COC(=O)N)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@]1(NC(=O)Cc2sccc2)[C@H]3SCC(=C(N3C1=O)C(O)=O)COC(N)=O |
SMILES | CACTVS | 3.341 | CO[C]1(NC(=O)Cc2sccc2)[CH]3SCC(=C(N3C1=O)C(O)=O)COC(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3 |
SMILES | OpenEye OEToolkits | 1.5.0 | COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3 |
InChI | InChI | 1.03 | InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1 |
InChIKey | InChI | 1.03 | WZOZEZRFJCJXNZ-ZBFHGGJFSA-N |