(2S)-2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C13H16ClN2O4S- MolecularWeight: 331.79514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC(CCSC)C(=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)[O-])Cl

InChI

InChI=1S/C13H17ClN2O4S/c1-20-11-4-3-8(7-9(11)14)15-13(19)16-10(12(17)18)5-6-21-2/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t10-/m0/s1