[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3)C5=CC=CS5

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3)C5=CC=CS5

InChI

InChI=1S/C25H21N3O3S2/c29-24(16-31-25(30)12-11-18-10-9-17-5-1-2-6-19(17)26-18)28-21(23-8-4-14-33-23)15-20(27-28)22-7-3-13-32-22/h1-10,13-14,21H,11-12,15-16H2