[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)OCC(C)C

InChI

InChI=1S/C21H27NO5S/c1-4-25-19-12-16(7-8-18(19)26-13-15(2)3)21(24)27-14-20(23)22-10-9-17-6-5-11-28-17/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3,(H,22,23)