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

Systemtic Name: ethyl 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=CS4)C

InChI

InChI=1S/C21H21N3O3S/c1-3-27-21(26)18-12-22-24(14(18)2)17-6-4-15(5-7-17)20(25)23-10-8-19-16(13-23)9-11-28-19/h4-7,9,11-12H,3,8,10,13H2,1-2H3