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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4,5-dimethoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4,5-dimethoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4,5-dimethoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4,5-dimethoxy-phenyl)but-3-enoic acid Formula: C19H16BrNO4S MolecularWeight: 434.30364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)Br)OC

InChI

InChI=1S/C19H16BrNO4S/c1-24-15-9-11(8-13(20)18(15)25-2)7-12(10-17(22)23)19-21-14-5-3-4-6-16(14)26-19/h3-9H,10H2,1-2H3,(H,22,23)/b12-7+