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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-14-17-12-15(27-2)8-9-18(17)29-21(14)22(26)28-13-20(25)23-19(24)10-11-30-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,24,25)