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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC(=O)C2=CC=NC=C2)OC)OC)O)C(CCC(=O)N3CCSCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=C1OC(=O)C2=CC=NC=C2)OC)OC)O)C(CCC(=O)N3CCSCC3)C4=CC=CC=C4

InChI

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