[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)C1=C(C=CC(=C1)OC)OC)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)C1=C(C=CC(=C1)OC)OC)C2=CC=CS2

InChI

InChI=1S/C19H21NO6S/c1-12(21)20-15(18-5-4-8-27-18)10-19(23)26-11-16(22)14-9-13(24-2)6-7-17(14)25-3/h4-9,15H,10-11H2,1-3H3,(H,20,21)