[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic 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=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-23-15-10-13(25-2)6-7-14(15)17(22)24-11-16(21)20-18(12-19)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21)