[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-[(1-cyanocyclopentyl)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)C(=O)CCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H22N2O4S/c1-12-9-14(13(2)25-12)15(21)5-6-17(23)24-10-16(22)20-18(11-19)7-3-4-8-18/h9H,3-8,10H2,1-2H3,(H,20,22)