1-[3-methyl-2-[4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-methyl-2-[4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-3-methyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-methyl-1-oxo-2-[4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-methylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(5-benzal-4-keto-2-thioxo-thiazolidin-3-yl)-3-methyl-butanoyl]isonipecotic acid Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C(=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

CC(C)C(C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C(=CC3=CC=CC=C3)SC2=S

InChI

InChI=1S/C21H24N2O4S2/c1-13(2)17(19(25)22-10-8-15(9-11-22)20(26)27)23-18(24)16(29-21(23)28)12-14-6-4-3-5-7-14/h3-7,12-13,15,17H,8-11H2,1-2H3,(H,26,27)