2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl

InChI

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