(2S)-2-[(5-chloranyl-2-methyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(5-chloranyl-2-methyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(5-chloro-2-methyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(5-chloro-2-methylanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5-chloro-2-methyl-phenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C13H16ClN2O3S- MolecularWeight: 315.79574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C13H17ClN2O3S/c1-8-3-4-9(14)7-11(8)16-13(19)15-10(12(17)18)5-6-20-2/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t10-/m0/s1