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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C26H24O6S MolecularWeight: 464.53016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C26H24O6S/c27-17-10-11-19-16(12-24(28)31-23(19)13-17)14-30-26(29)25-21(15-33-18-6-2-1-3-7-18)20-8-4-5-9-22(20)32-25/h4-5,8-13,18,27H,1-3,6-7,14-15H2