[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C=CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)/C=C/C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-30-20-11-9-19(10-12-20)23-16-22(18-6-3-2-4-7-18)26-27(23)24(28)17-31-25(29)14-13-21-8-5-15-32-21/h2-15,23H,16-17H2,1H3/b14-13+