cyclopentyl 6-(3-oxidanylidene-4,6-dihydro-1H-thieno[3,4-c]pyrazol-2-yl)pyridine-3-carboxylate

Systemtic Name: cyclopentyl 6-(3-oxidanylidene-4,6-dihydro-1H-thieno[3,4-c]pyrazol-2-yl)pyridine-3-carboxylate Openeye Name: cyclopentyl 6-(3-oxo-4,6-dihydro-1H-thieno[3,4-c]pyrazol-2-yl)pyridine-3-carboxylate CAS Name: 6-(3-oxo-4,6-dihydro-1H-thieno[3,4-c]pyrazol-2-yl)-3-pyridinecarboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 6-(3-oxo-4,6-dihydro-1H-thieno[3,4-c]pyrazol-2-yl)pyridine-3-carboxylate Traditional Name: 6-(3-keto-4,6-dihydro-1H-thieno[3,4-c]pyrazol-2-yl)nicotinic acid cyclopentyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C2=CN=C(C=C2)N3C(=O)C4=C(N3)CSC4

Isomeric SMILES

C1CCC(C1)OC(=O)C2=CN=C(C=C2)N3C(=O)C4=C(N3)CSC4

InChI

InChI=1S/C16H17N3O3S/c20-15-12-8-23-9-13(12)18-19(15)14-6-5-10(7-17-14)16(21)22-11-3-1-2-4-11/h5-7,11,18H,1-4,8-9H2