[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[(5S)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H24N2O6S/c1-15-6-4-7-17(24(15)29)25(30)33-14-23(28)27-19(13-18(26-27)22-8-5-11-34-22)16-9-10-20(31-2)21(12-16)32-3/h4-12,19,29H,13-14H2,1-3H3/t19-/m0/s1