[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(2-methoxyphenoxy)ethanoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(2-methoxyphenoxy)ethanoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-(2-methoxyphenoxy)acetate CAS Name: 2-(2-methoxyphenoxy)acetic 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] 2-(2-methoxyphenoxy)acetate Traditional Name: 2-(2-methoxyphenoxy)acetic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C22H20N2O5S2/c1-27-17-6-2-3-7-18(17)28-14-22(26)29-13-21(25)24-16(20-9-5-11-31-20)12-15(23-24)19-8-4-10-30-19/h2-11,16H,12-14H2,1H3