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

Systemtic Name: 2-[(E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylethanoic acid Openeye Name: 2-[(E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylacetic acid CAS Name: 2-[[(E)-3-(4-chloroanilino)-2-cyano-1-mercapto-3-oxoprop-1-enyl]thio]acetic acid IUPAC Name: 2-[(E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-sulfanylprop-1-enyl]sulfanylacetic acid Traditional Name: 2-[[(E)-3-(4-chloroanilino)-2-cyano-3-keto-1-mercapto-prop-1-enyl]thio]acetic acid Formula: C12H9ClN2O3S2 MolecularWeight: 328.79446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=C(S)SCC(=O)O)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C(=C(\S)/SCC(=O)O)/C#N)Cl

InChI

InChI=1S/C12H9ClN2O3S2/c13-7-1-3-8(4-2-7)15-11(18)9(5-14)12(19)20-6-10(16)17/h1-4,19H,6H2,(H,15,18)(H,16,17)/b12-9+