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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)but-3-enoic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2S/c1-12-7-8-14(13(2)9-12)10-15(11-18(21)22)19-20-16-5-3-4-6-17(16)23-19/h3-10H,11H2,1-2H3,(H,21,22)/b15-10+