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

Systemtic Name: methyl 4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethoxy]benzoate Traditional Name: 4-[2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c1-26-21(25)14-6-8-15(9-7-14)27-13-20(24)23-17(19-5-3-11-29-19)12-16(22-23)18-4-2-10-28-18/h2-11,17H,12-13H2,1H3