[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)OCC

InChI

InChI=1S/C20H25NO5S/c1-3-5-10-25-17-9-8-15(12-18(17)24-4-2)20(23)26-14-19(22)21-13-16-7-6-11-27-16/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,21,22)