[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H21NO5S/c1-16-19-12-11-17-7-5-6-10-20(17)24(19)31-23(16)25(29)30-15-22(28)26-21(27)13-14-32-18-8-3-2-4-9-18/h2-12H,13-15H2,1H3,(H,26,27,28)