3-[4-(4-cyanophenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylate

Systemtic Name: 3-[4-(4-cyanophenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylate Openeye Name: 3-[2-acetylsulfanyl-4-(4-cyanophenyl)-4-oxo-butanoyl]thiazolidine-4-carboxylate CAS Name: 3-[2-(acetylthio)-4-(4-cyanophenyl)-1,4-dioxobutyl]-4-thiazolidinecarboxylate IUPAC Name: 3-[2-acetylsulfanyl-4-(4-cyanophenyl)-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 3-[2-(acetylthio)-4-(4-cyanophenyl)-4-keto-butanoyl]thiazolidine-4-carboxylate Formula: C17H15N2O5S2- MolecularWeight: 391.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CSCC2C(=O)[O-]

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CSCC2C(=O)[O-]

InChI

InChI=1S/C17H16N2O5S2/c1-10(20)26-15(16(22)19-9-25-8-13(19)17(23)24)6-14(21)12-4-2-11(7-18)3-5-12/h2-5,13,15H,6,8-9H2,1H3,(H,23,24)/p-1