(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (2-keto-2-morpholino-ethyl) ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c21-16(20-9-11-23-12-10-20)13-24-18(22)15-7-4-8-19-17(15)25-14-5-2-1-3-6-14/h1-8H,9-13H2