[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C20H19NO5S2/c1-24-13-7-8-14(17(11-13)25-2)16(22)12-26-19(23)9-10-27-20-21-15-5-3-4-6-18(15)28-20/h3-8,11H,9-10,12H2,1-2H3