(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(2,4,5-trimethoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asaryl-2-(1,3-benzothiazol-2-ylthio)acrylate Formula: C19H16NO5S2- MolecularWeight: 402.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C(=O)[O-])SC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S2/c1-23-13-10-15(25-3)14(24-2)8-11(13)9-17(18(21)22)27-19-20-12-6-4-5-7-16(12)26-19/h4-10H,1-3H3,(H,21,22)/p-1/b17-9+