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

Systemtic Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic 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] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl] ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O3S/c23-18(22-8-6-17-14(11-22)7-9-26-17)12-25-19(24)16-10-15(20-21-16)13-4-2-1-3-5-13/h1-5,7,9-10H,6,8,11-12H2,(H,20,21)