(E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]but-3-enoate Formula: C27H20N3O3S- MolecularWeight: 466.531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(CC(=O)[O-])C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3S/c1-33-22-13-11-18(12-14-22)26-20(17-30(29-26)21-7-3-2-4-8-21)15-19(16-25(31)32)27-28-23-9-5-6-10-24(23)34-27/h2-15,17H,16H2,1H3,(H,31,32)/p-1/b19-15+