methyl 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-3-methyl-butyric acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC=CC=C1SCC#N

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC=CC=C1SCC#N

InChI

InChI=1S/C15H18N2O3S/c1-10(2)13(15(19)20-3)17-14(18)11-6-4-5-7-12(11)21-9-8-16/h4-7,10,13H,9H2,1-3H3,(H,17,18)