[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

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