2-[(3-cyanophenyl)-methanoyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)-methanoyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(3-cyano-N-formyl-anilino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(3-cyano-N-formylanilino)-4-(methylthio)butanoic acid IUPAC Name: 2-(3-cyano-N-formylanilino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(3-cyano-N-formyl-anilino)-4-(methylthio)butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N(C=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CSCCC(C(=O)O)N(C=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H14N2O3S/c1-19-6-5-12(13(17)18)15(9-16)11-4-2-3-10(7-11)8-14/h2-4,7,9,12H,5-6H2,1H3,(H,17,18)