(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid Formula: C18H15NO5S2 MolecularWeight: 389.4454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=C(C(=O)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO5S2/c1-23-12-7-10(8-13(24-2)16(12)20)9-15(17(21)22)26-18-19-11-5-3-4-6-14(11)25-18/h3-9,20H,1-2H3,(H,21,22)/b15-9+