[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C26H27N3O4S/c1-18-5-11-22(12-6-18)34-25-23(4-3-13-27-25)26(31)33-19(2)24(30)28-20-7-9-21(10-8-20)29-14-16-32-17-15-29/h3-13,19H,14-17H2,1-2H3,(H,28,30)