methyl 5-[[4-(3-phenylsulfanylprop-2-enoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-(3-phenylsulfanylprop-2-enoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(3-phenylsulfanylprop-2-enoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[1-oxo-3-(phenylthio)prop-2-enyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-phenylsulfanylprop-2-enoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-[3-(phenylthio)acryloyl]morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=O)C=CSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-26-21(25)16-11-17(13-22-12-16)28-15-18-14-23(8-9-27-18)20(24)7-10-29-19-5-3-2-4-6-19/h2-7,10-13,18H,8-9,14-15H2,1H3