[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C25H21NO5S/c1-16-19-14-17(29-2)12-13-21(19)31-24(16)25(28)30-15-23(27)26-20-10-6-7-11-22(20)32-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,27)