ethyl 5-cyano-2-methyl-6-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(3-morpholinosulfonylphenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(3-morpholinosulfonylbenzyl)thio]nicotinic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H23N3O5S2/c1-3-29-21(25)19-12-17(13-22)20(23-15(19)2)30-14-16-5-4-6-18(11-16)31(26,27)24-7-9-28-10-8-24/h4-6,11-12H,3,7-10,14H2,1-2H3