4-azanyl-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[2-[(4-chlorophenyl)thio]propanoylamino]-4-keto-butyric acid Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)N)C(=O)O)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)NC(CC(=O)N)C(=O)O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H15ClN2O4S/c1-7(21-9-4-2-8(14)3-5-9)12(18)16-10(13(19)20)6-11(15)17/h2-5,7,10H,6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)