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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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