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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dimethylphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dimethylphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dimethylphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dimethylphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dimethylphenyl)pent-4-enoic acid Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H19NO2S/c1-13-7-8-15(14(2)11-13)12-16(9-10-19(22)23)20-21-17-5-3-4-6-18(17)24-20/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)/b16-12+