1-methylsulfanylethyl 2-methyl-5-oxidanylidene-4-(4-oxidanylidene-2-phenyl-thiochromen-8-yl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

Systemtic Name: 1-methylsulfanylethyl 2-methyl-5-oxidanylidene-4-(4-oxidanylidene-2-phenyl-thiochromen-8-yl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: 1-methylsulfanylethyl 2-methyl-5-oxo-4-(4-oxo-2-phenyl-thiochromen-8-yl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(4-oxo-2-phenyl-1-benzothiopyran-8-yl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid 1-(methylthio)ethyl ester IUPAC Name: 1-methylsulfanylethyl 2-methyl-5-oxo-4-(4-oxo-2-phenylthiochromen-8-yl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Traditional Name: 5-keto-4-(4-keto-2-phenyl-thiochromen-8-yl)-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid 1-(methylthio)ethyl ester Formula: C27H23NO5S2 MolecularWeight: 505.60522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5)C(=O)OC(C)SC

Isomeric SMILES

CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5)C(=O)OC(C)SC

InChI

InChI=1S/C27H23NO5S2/c1-14-22(27(31)33-15(2)34-3)23(24-19(28-14)13-32-26(24)30)18-11-7-10-17-20(29)12-21(35-25(17)18)16-8-5-4-6-9-16/h4-12,15,23,28H,13H2,1-3H3