[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic 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-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)OC

InChI

InChI=1S/C23H22N2O5S2/c1-3-29-19-12-15(8-9-18(19)28-2)23(27)30-14-22(26)25-17(21-7-5-11-32-21)13-16(24-25)20-6-4-10-31-20/h4-12,17H,3,13-14H2,1-2H3