[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H21NO5S/c1-3-25-12-17-16-9-4-5-10-18(16)27-20(17)21(24)26-13-19(23)22-14-7-6-8-15(11-14)28-2/h4-11H,3,12-13H2,1-2H3,(H,22,23)