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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-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)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCC(=O)C1=CC=C(S1)Cl)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCC(=O)C1=CC=C(S1)Cl)C2(CCCCC2)C#N

InChI

InChI=1S/C18H21ClN2O4S/c1-21(18(12-20)9-3-2-4-10-18)16(23)11-25-17(24)8-5-13(22)14-6-7-15(19)26-14/h6-7H,2-5,8-11H2,1H3