[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2(CCCCC2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2(CCCCC2)C#N)C

InChI

InChI=1S/C19H24N2O3S/c1-14-6-7-16(10-15(14)2)25-12-18(23)24-11-17(22)21-19(13-20)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,22)