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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenyl-4-pyrazolyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O2S/c25-20(26)11-10-16(21-23-18-8-4-5-9-19(18)27-21)12-15-13-22-24(14-15)17-6-2-1-3-7-17/h1-9,12-14H,10-11H2,(H,25,26)/b16-12+