[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-3-5-12-27-19-10-8-17(14-20(19)26-4-2)9-11-22(25)28-16-21(24)23-15-18-7-6-13-29-18/h6-11,13-14H,3-5,12,15-16H2,1-2H3,(H,23,24)/b11-9+