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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H19ClN2O4S/c18-14-6-5-13(25-14)12(21)4-7-16(23)24-10-15(22)20-17(11-19)8-2-1-3-9-17/h5-6H,1-4,7-10H2,(H,20,22)