ethyl 4-oxidanylidene-8-[[2-[(phenylmethylsulfanyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]carbonylamino]chromene-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-8-[[2-[(phenylmethylsulfanyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]carbonylamino]chromene-2-carboxylate Openeye Name: ethyl 8-[[2-(benzylsulfanylmethyl)-2,3-dihydrobenzofuran-5-carbonyl]amino]-4-oxo-chromene-2-carboxylate CAS Name: 4-oxo-8-[[oxo-[2-[(phenylmethylthio)methyl]-2,3-dihydrobenzofuran-5-yl]methyl]amino]-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[2-(benzylsulfanylmethyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]-4-oxochromene-2-carboxylate Traditional Name: 8-[[2-[(benzylthio)methyl]coumaran-5-carbonyl]amino]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C29H25NO6S MolecularWeight: 515.5769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC=C2)NC(=O)C3=CC4=C(C=C3)OC(C4)CSCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC=C2)NC(=O)C3=CC4=C(C=C3)OC(C4)CSCC5=CC=CC=C5

InChI

InChI=1S/C29H25NO6S/c1-2-34-29(33)26-15-24(31)22-9-6-10-23(27(22)36-26)30-28(32)19-11-12-25-20(13-19)14-21(35-25)17-37-16-18-7-4-3-5-8-18/h3-13,15,21H,2,14,16-17H2,1H3,(H,30,32)