[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC(=O)NCC2=CC=CS2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC(=O)NCC2=CC=CS2)OC)OC

InChI

InChI=1S/C19H21NO6S/c1-23-15-10-17(25-3)16(24-2)9-13(15)6-7-19(22)26-12-18(21)20-11-14-5-4-8-27-14/h4-10H,11-12H2,1-3H3,(H,20,21)/b7-6+