[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-bromobenzoyl)amino]-4-(methylthio)butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C17H21BrN2O4S MolecularWeight: 429.32864

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O4S/c1-25-9-8-14(17(23)24-10-15(21)19-13-6-7-13)20-16(22)11-2-4-12(18)5-3-11/h2-5,13-14H,6-10H2,1H3,(H,19,21)(H,20,22)