[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C18H22N2O4S/c1-23-14-5-7-15(8-6-14)25-12-17(22)24-11-16(21)20-18(13-19)9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,21)