[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H23BrN2O3S MolecularWeight: 439.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C19H23BrN2O3S/c1-14-10-15(20)6-7-16(14)26-12-18(24)25-11-17(23)22(2)19(13-21)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3