(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H16O6S MolecularWeight: 396.41314

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H16O6S/c1-28-11-16-15-4-2-3-5-17(15)27-20(16)21(24)25-10-12-8-19(23)26-18-9-13(22)6-7-14(12)18/h2-9,22H,10-11H2,1H3