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

Systemtic Name: butyl 2-methyl-5-oxidanylidene-4-(4-oxidanylidene-2-phenyl-thiochromen-8-yl)-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate Openeye Name: butyl 2-methyl-5-oxo-4-(4-oxo-2-phenyl-thiochromen-8-yl)-4,7-dihydro-1H-thieno[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-thieno[3,4-b]pyridine-3-carboxylic acid butyl ester IUPAC Name: butyl 2-methyl-5-oxo-4-(4-oxo-2-phenylthiochromen-8-yl)-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate Traditional Name: 5-keto-4-(4-keto-2-phenyl-thiochromen-8-yl)-2-methyl-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylic acid butyl ester Formula: C28H25NO4S2 MolecularWeight: 503.6324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5)C(=O)SC2)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5)C(=O)SC2)C

InChI

InChI=1S/C28H25NO4S2/c1-3-4-13-33-27(31)23-16(2)29-20-15-34-28(32)25(20)24(23)19-12-8-11-18-21(30)14-22(35-26(18)19)17-9-6-5-7-10-17/h5-12,14,24,29H,3-4,13,15H2,1-2H3