(2S)-2-[(3-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-chlorobenzoyl)amino]-4-(methylthio)butyrate Formula: C12H13ClNO3S- MolecularWeight: 286.75452

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-18-6-5-10(12(16)17)14-11(15)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1