propyl 3-(6-methylpyridin-3-yl)-2-(4-methylsulfanylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: propyl 3-(6-methylpyridin-3-yl)-2-(4-methylsulfanylphenyl)-3-oxidanylidene-propanoate Openeye Name: propyl 3-(6-methyl-3-pyridyl)-2-(4-methylsulfanylphenyl)-3-oxo-propanoate CAS Name: 3-(6-methyl-3-pyridinyl)-2-[4-(methylthio)phenyl]-3-oxopropanoic acid propyl ester IUPAC Name: propyl 3-(6-methylpyridin-3-yl)-2-(4-methylsulfanylphenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(6-methyl-3-pyridyl)-2-[4-(methylthio)phenyl]propionic acid propyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C1=CC=C(C=C1)SC)C(=O)C2=CN=C(C=C2)C

Isomeric SMILES

CCCOC(=O)C(C1=CC=C(C=C1)SC)C(=O)C2=CN=C(C=C2)C

InChI

InChI=1S/C19H21NO3S/c1-4-11-23-19(22)17(14-7-9-16(24-3)10-8-14)18(21)15-6-5-13(2)20-12-15/h5-10,12,17H,4,11H2,1-3H3