methyl 4-[[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[2-[(2-bromobenzoyl)amino]-4-(methylthio)butanoyl]amino]benzoic acid methyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H21BrN2O4S/c1-27-20(26)13-7-9-14(10-8-13)22-19(25)17(11-12-28-2)23-18(24)15-5-3-4-6-16(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,25)(H,23,24)