[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-(2-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-(2-carbethoxyanilino)-2-keto-ethyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C22H21NO6S/c1-3-27-21(25)15-9-4-6-10-17(15)23-19(24)12-28-22(26)20-16(13-30-2)14-8-5-7-11-18(14)29-20/h4-11H,3,12-13H2,1-2H3,(H,23,24)