(E)-4-(1,3-benzothiazol-2-yl)-5-(1,3-diphenylpyrazol-4-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3-diphenylpyrazol-4-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3-diphenylpyrazol-4-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3-diphenyl-4-pyrazolyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3-diphenylpyrazol-4-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3-diphenylpyrazol-4-yl)pent-4-enoic acid Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S/c31-25(32)16-15-20(27-28-23-13-7-8-14-24(23)33-27)17-21-18-30(22-11-5-2-6-12-22)29-26(21)19-9-3-1-4-10-19/h1-14,17-18H,15-16H2,(H,31,32)/b20-17+