[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO6S/c1-25-16-10-13(11-17(26-2)21(16)27-3)15(23)12-28-20(24)9-8-19-22-14-6-4-5-7-18(14)29-19/h4-7,10-11H,8-9,12H2,1-3H3