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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-4-pyrazolyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenylpyrazol-4-yl)but-3-enoic acid Formula: C20H15N3O2S MolecularWeight: 361.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S/c24-19(25)11-15(20-22-17-8-4-5-9-18(17)26-20)10-14-12-21-23(13-14)16-6-2-1-3-7-16/h1-10,12-13H,11H2,(H,24,25)/b15-10+