3-methyl-2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid

Systemtic Name: 3-methyl-2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Openeye Name: 3-methyl-2-[(5Z)-4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]pentanoic acid CAS Name: 3-methyl-2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoic acid IUPAC Name: 3-methyl-2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Traditional Name: 2-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]-3-methyl-valeric acid Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)C)SC1=S

Isomeric SMILES

CCC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=S

InChI

InChI=1S/C17H19NO3S2/c1-4-11(3)14(16(20)21)18-15(19)13(23-17(18)22)9-12-7-5-10(2)6-8-12/h5-9,11,14H,4H2,1-3H3,(H,20,21)/b13-9-