[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CN=CC=C3)C4=CC=CS4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CN=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H15N3O3S2/c23-18(12-25-19(24)13-4-1-7-20-11-13)22-15(17-6-3-9-27-17)10-14(21-22)16-5-2-8-26-16/h1-9,11,15H,10,12H2/t15-/m1/s1