[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H26N2O5S/c1-15(24)16-6-7-18(27-2)17(10-16)12-29-13-20(26)28-11-19(25)23-21(14-22)8-4-3-5-9-21/h6-7,10H,3-5,8-9,11-13H2,1-2H3,(H,23,25)