[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl] 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclohexyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C(=O)OCC(=O)N3CCC4=C(C3)C=CS4

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C(=O)OCC(=O)N3CCC4=C(C3)C=CS4

InChI

InChI=1S/C22H28N2O3S/c1-15-12-19(16(2)24(15)18-6-4-3-5-7-18)22(26)27-14-21(25)23-10-8-20-17(13-23)9-11-28-20/h9,11-12,18H,3-8,10,13-14H2,1-2H3