2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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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)NC(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)