(E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenylpyrazol-4-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoic acid Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O2S/c1-15-19(16(2)26(25-15)18-8-4-3-5-9-18)14-17(12-13-22(27)28)23-24-20-10-6-7-11-21(20)29-23/h3-11,14H,12-13H2,1-2H3,(H,27,28)/b17-14+