ethyl 3-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl 3-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl 3-[(3S)-3-(4-fluorophenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]but-2-enoate CAS Name: 3-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]but-2-enoate Traditional Name: 3-[(5S)-5-(4-fluorophenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C19H19FN2O2S MolecularWeight: 358.429763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(C=C(N1)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C=C(C)N1[C@@H](C=C(N1)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O2S/c1-3-24-19(23)11-13(2)22-17(14-6-8-15(20)9-7-14)12-16(21-22)18-5-4-10-25-18/h4-12,17,21H,3H2,1-2H3/t17-/m0/s1