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

Systemtic Name: 4-oxidanylidene-8-[[2-[(phenylmethylsulfanyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]carbonylamino]chromene-2-carboxylic acid Openeye Name: 8-[[2-(benzylsulfanylmethyl)-2,3-dihydrobenzofuran-5-carbonyl]amino]-4-oxo-chromene-2-carboxylic acid CAS Name: 4-oxo-8-[[oxo-[2-[(phenylmethylthio)methyl]-2,3-dihydrobenzofuran-5-yl]methyl]amino]-1-benzopyran-2-carboxylic acid IUPAC Name: 8-[[2-(benzylsulfanylmethyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]-4-oxochromene-2-carboxylic acid Traditional Name: 8-[[2-[(benzylthio)methyl]coumaran-5-carbonyl]amino]-4-keto-chromene-2-carboxylic acid Formula: C27H21NO6S MolecularWeight: 487.52374

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O)CSCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O)CSCC5=CC=CC=C5

InChI

InChI=1S/C27H21NO6S/c29-22-13-24(27(31)32)34-25-20(22)7-4-8-21(25)28-26(30)17-9-10-23-18(11-17)12-19(33-23)15-35-14-16-5-2-1-3-6-16/h1-11,13,19H,12,14-15H2,(H,28,30)(H,31,32)