2-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylethanoic acid

Systemtic Name: 2-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylethanoic acid Openeye Name: 2-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylacetic acid CAS Name: 2-[[(E)-2-cyano-1-mercapto-3-(4-methylanilino)-3-oxoprop-1-enyl]thio]acetic acid IUPAC Name: 2-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-1-sulfanylprop-1-enyl]sulfanylacetic acid Traditional Name: 2-[[(E)-2-cyano-3-keto-1-mercapto-3-(p-toluidino)prop-1-enyl]thio]acetic acid Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=C(S)SCC(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C(\S)/SCC(=O)O)/C#N

InChI

InChI=1S/C13H12N2O3S2/c1-8-2-4-9(5-3-8)15-12(18)10(6-14)13(19)20-7-11(16)17/h2-5,19H,7H2,1H3,(H,15,18)(H,16,17)/b13-10+