4-(1,3-benzothiazol-2-yl)-5-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]pent-4-enoic acid

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-5-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]pent-4-enoic acid Openeye Name: 4-(1,3-benzothiazol-2-yl)-5-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]pent-4-enoic acid CAS Name: 4-(1,3-benzothiazol-2-yl)-5-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-4-pentenoic acid IUPAC Name: 4-(1,3-benzothiazol-2-yl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]pent-4-enoic acid Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]pent-4-enoic acid Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S/c1-34-23-14-11-19(12-15-23)27-21(18-31(30-27)22-7-3-2-4-8-22)17-20(13-16-26(32)33)28-29-24-9-5-6-10-25(24)35-28/h2-12,14-15,17-18H,13,16H2,1H3,(H,32,33)