methyl 2-[(3-bromophenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3-bromophenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3-bromophenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-bromoanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-bromophenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3-bromophenyl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C13H17BrN2O3S MolecularWeight: 361.25468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H17BrN2O3S/c1-19-12(17)11(6-7-20-2)16-13(18)15-10-5-3-4-9(14)8-10/h3-5,8,11H,6-7H2,1-2H3,(H2,15,16,18)