[6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(pyridin-3-ylcarbonyloxy)thian-3-yl] pyridine-3-carboxylate

Systemtic Name: [6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(pyridin-3-ylcarbonyloxy)thian-3-yl] pyridine-3-carboxylate Openeye Name: [6-(4-methyl-2-oxo-chromen-7-yl)oxy-4,5-bis(pyridine-3-carbonyloxy)tetrahydrothiopyran-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [6-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-4,5-bis[oxo(3-pyridinyl)methoxy]-3-thianyl] ester IUPAC Name: [6-(4-methyl-2-oxochromen-7-yl)oxy-4,5-bis(pyridine-3-carbonyloxy)thian-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [6-(2-keto-4-methyl-chromen-7-yl)oxy-4,5-dinicotinoyloxy-tetrahydrothiopyran-3-yl] ester Formula: C33H25N3O9S MolecularWeight: 639.6313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6

InChI

InChI=1S/C33H25N3O9S/c1-19-13-27(37)42-25-14-23(8-9-24(19)25)41-33-29(45-32(40)22-7-4-12-36-17-22)28(44-31(39)21-6-3-11-35-16-21)26(18-46-33)43-30(38)20-5-2-10-34-15-20/h2-17,26,28-29,33H,18H2,1H3