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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C27H26O6S MolecularWeight: 478.55674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C27H26O6S/c1-30-18-11-12-20-17(13-25(28)32-24(20)14-18)15-31-27(29)26-22(16-34-19-7-3-2-4-8-19)21-9-5-6-10-23(21)33-26/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3