[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C20H25NO6S/c1-24-16-11-14(12-17(25-2)20(16)26-3)6-7-19(23)27-13-18(22)21-9-8-15-5-4-10-28-15/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22)