octyl 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: octyl 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: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C32H33NO5S MolecularWeight: 543.67312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5)C(=O)OC2)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5)C(=O)OC2)C

InChI

InChI=1S/C32H33NO5S/c1-3-4-5-6-7-11-17-37-31(35)27-20(2)33-24-19-38-32(36)29(24)28(27)23-16-12-15-22-25(34)18-26(39-30(22)23)21-13-9-8-10-14-21/h8-10,12-16,18,28,33H,3-7,11,17,19H2,1-2H3