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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)but-3-enoic acid Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-14-18(15(2)25(24-14)17-8-4-3-5-9-17)12-16(13-21(26)27)22-23-19-10-6-7-11-20(19)28-22/h3-12H,13H2,1-2H3,(H,26,27)/b16-12+