[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H23BrN2O3S MolecularWeight: 427.35582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C18H23BrN2O3S/c1-11(2)18(5,10-20)21-17(23)13(4)24-16(22)9-25-15-7-6-14(19)8-12(15)3/h6-8,11,13H,9H2,1-5H3,(H,21,23)