[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C21H21NO5S/c1-3-10-22(12-15-7-6-11-28-15)19(23)14-26-21(24)20-17(13-25-2)16-8-4-5-9-18(16)27-20/h3-9,11H,1,10,12-14H2,2H3