S-[1-[(3-carboxyoxy-9-methyl-5-oxidanylidene-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[3,2-a]azepin-9a-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl] pyridine-3-carbothioate

Systemtic Name: S-[1-[(3-carboxyoxy-9-methyl-5-oxidanylidene-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[3,2-a]azepin-9a-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl] pyridine-3-carbothioate Openeye Name: S-[1-[(3-carboxyoxy-9-methyl-5-oxo-2,3,6,7,8,9-hexahydrothiazolo[3,2-a]azepin-9a-yl)carbamoyl]-2-methyl-butyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[1-[(3-carboxyoxy-9-methyl-5-oxo-2,3,6,7,8,9-hexahydrothiazolo[3,2-a]azepin-9a-yl)amino]-3-methyl-1-oxopentan-2-yl] ester IUPAC Name: S-[1-[(3-carboxyoxy-9-methyl-5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[3,2-a]azepin-9a-yl)amino]-3-methyl-1-oxopentan-2-yl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[1-[(3-carboxyoxy-5-keto-9-methyl-2,3,6,7,8,9-hexahydrothiazol[3,2-a]azepin-9a-yl)carbamoyl]-2-methyl-butyl] ester Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC12C(CCCC(=O)N1C(CS2)OC(=O)O)C)SC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC12C(CCCC(=O)N1C(CS2)OC(=O)O)C)SC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H29N3O6S2/c1-4-13(2)18(33-20(28)15-8-6-10-23-11-15)19(27)24-22-14(3)7-5-9-16(26)25(22)17(12-32-22)31-21(29)30/h6,8,10-11,13-14,17-18H,4-5,7,9,12H2,1-3H3,(H,24,27)(H,29,30)