(4-oxidanylidene-1,3-diphenyl-4-thiomorpholin-4-yl-butyl) 3,4-dimethoxy-6-methyl-5-oxidanyl-pyridine-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,3-diphenyl-4-thiomorpholin-4-yl-butyl) 3,4-dimethoxy-6-methyl-5-oxidanyl-pyridine-2-carboxylate Openeye Name: (4-oxo-1,3-diphenyl-4-thiomorpholino-butyl) 5-hydroxy-3,4-dimethoxy-6-methyl-pyridine-2-carboxylate CAS Name: 5-hydroxy-3,4-dimethoxy-6-methyl-2-pyridinecarboxylic acid (4-oxo-1,3-diphenyl-4-thiomorpholin-4-ylbutyl) ester IUPAC Name: (4-oxo-1,3-diphenyl-4-thiomorpholin-4-ylbutyl) 5-hydroxy-3,4-dimethoxy-6-methylpyridine-2-carboxylate Traditional Name: 5-hydroxy-3,4-dimethoxy-6-methyl-picolinic acid (4-keto-1,3-diphenyl-4-thiomorpholino-butyl) ester Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C(=O)OC(CC(C2=CC=CC=C2)C(=O)N3CCSCC3)C4=CC=CC=C4)OC)OC)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C(=O)OC(CC(C2=CC=CC=C2)C(=O)N3CCSCC3)C4=CC=CC=C4)OC)OC)O

InChI

InChI=1S/C29H32N2O6S/c1-19-25(32)27(36-3)26(35-2)24(30-19)29(34)37-23(21-12-8-5-9-13-21)18-22(20-10-6-4-7-11-20)28(33)31-14-16-38-17-15-31/h4-13,22-23,32H,14-18H2,1-3H3