[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N(C)CCC#N

InChI

InChI=1S/C15H17BrN2O3S/c1-11-8-12(16)4-5-13(11)22-10-15(20)21-9-14(19)18(2)7-3-6-17/h4-5,8H,3,7,9-10H2,1-2H3