cyanomethyl 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: cyanomethyl 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]thio]benzoic acid cyanomethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)OCC#N

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)OCC#N

InChI

InChI=1S/C18H22N2O3S/c1-20(14-7-3-2-4-8-14)17(21)13-24-16-10-6-5-9-15(16)18(22)23-12-11-19/h5-6,9-10,14H,2-4,7-8,12-13H2,1H3