(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3,4-dimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3,4-dimethoxyphenyl)acrylic acid Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C18H15NO4S2/c1-22-13-8-7-11(9-14(13)23-2)10-16(17(20)21)25-18-19-12-5-3-4-6-15(12)24-18/h3-10H,1-2H3,(H,20,21)/b16-10+