[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO5S/c1-26-13-18-17-9-5-6-10-19(17)28-21(18)22(25)27-14-20(24)23-11-12-29-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,24)