cyanomethyl 2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: cyanomethyl 2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: cyanomethyl 2-[(4-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(4-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-bromobenzoyl)amino]-4-(methylthio)butyric acid cyanomethyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC#N)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CSCCC(C(=O)OCC#N)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H15BrN2O3S/c1-21-9-6-12(14(19)20-8-7-16)17-13(18)10-2-4-11(15)5-3-10/h2-5,12H,6,8-9H2,1H3,(H,17,18)