(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C28H26O5S MolecularWeight: 474.56804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)C6=C(CCC6)C(=O)O5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)C6=C(CCC6)C(=O)O5

InChI

InChI=1S/C28H26O5S/c29-27-22-11-6-10-19(22)21-14-13-17(15-25(21)33-27)31-28(30)26-23(16-34-18-7-2-1-3-8-18)20-9-4-5-12-24(20)32-26/h4-5,9,12-15,18H,1-3,6-8,10-11,16H2