2-[(2-chlorophenyl)carbonyl-methyl-amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[(2-chlorophenyl)carbonyl-methyl-amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[(2-chlorobenzoyl)-methyl-amino]-4-sulfanyl-butanoic acid CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]-methylamino]-4-mercaptobutanoic acid IUPAC Name: 2-[(2-chlorobenzoyl)-methylamino]-4-sulfanylbutanoic acid Traditional Name: 2-[(2-chlorobenzoyl)-methyl-amino]-4-mercapto-butyric acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCS)C(=O)O)C(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CN(C(CCS)C(=O)O)C(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C12H14ClNO3S/c1-14(10(6-7-18)12(16)17)11(15)8-4-2-3-5-9(8)13/h2-5,10,18H,6-7H2,1H3,(H,16,17)