4-[(3S)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzoate

Systemtic Name: 4-[(3S)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzoate Openeye Name: 4-[(3S)-5-(4-methoxyphenyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]benzoate CAS Name: 4-[(3S)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzoate IUPAC Name: 4-[(3S)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzoate Traditional Name: 4-[(5S)-3-(4-methoxyphenyl)-5-(2-thienyl)-2-pyrazolin-1-yl]benzoate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CS3)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H18N2O3S/c1-26-17-10-6-14(7-11-17)18-13-19(20-3-2-12-27-20)23(22-18)16-8-4-15(5-9-16)21(24)25/h2-12,19H,13H2,1H3,(H,24,25)/p-1/t19-/m0/s1