(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(1-imidazolyl)phenyl]-3-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)N4C=CN=C4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(C=C3)N4C=CN=C4)/CC(=O)O

InChI

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