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

Systemtic Name: 2-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-1-sulfanyl-prop-1-enyl]sulfanylethanoic acid Openeye Name: 2-[(E)-3-anilino-2-cyano-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylacetic acid CAS Name: 2-[[(E)-3-anilino-2-cyano-1-mercapto-3-oxoprop-1-enyl]thio]acetic acid IUPAC Name: 2-[(E)-3-anilino-2-cyano-3-oxo-1-sulfanylprop-1-enyl]sulfanylacetic acid Traditional Name: 2-[[(E)-3-anilino-2-cyano-3-keto-1-mercapto-prop-1-enyl]thio]acetic acid Formula: C12H10N2O3S2 MolecularWeight: 294.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3S2/c13-6-9(12(18)19-7-10(15)16)11(17)14-8-4-2-1-3-5-8/h1-5,18H,7H2,(H,14,17)(H,15,16)/b12-9+