ethyl (E)-3-[(3R)-3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[(3R)-3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl (E)-3-[(3R)-3-(4-bromophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]but-2-enoate CAS Name: (E)-3-[(3R)-3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3R)-3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]but-2-enoate Traditional Name: (E)-3-[(5R)-5-(4-bromophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C19H19BrN2O2S MolecularWeight: 419.33536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C(\C)/N1[C@H](CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN2O2S/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/h4-11,17H,3,12H2,1-2H3/b13-11+/t17-/m1/s1