(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H28O5S MolecularWeight: 476.58392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5)C

InChI

InChI=1S/C28H28O5S/c1-17-12-13-21-19(14-25(29)33-26(21)18(17)2)15-31-28(30)27-23(16-34-20-8-4-3-5-9-20)22-10-6-7-11-24(22)32-27/h6-7,10-14,20H,3-5,8-9,15-16H2,1-2H3