propan-2-yl 3-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: propan-2-yl 3-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)-3-oxidanylidene-propanoate Openeye Name: isopropyl 3-(6-methyl-3-pyridyl)-2-(4-methylsulfonylphenyl)-3-oxo-propanoate CAS Name: 3-(6-methyl-3-pyridinyl)-2-(4-methylsulfonylphenyl)-3-oxopropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)-3-oxopropanoate Traditional Name: 3-keto-2-(4-mesylphenyl)-3-(6-methyl-3-pyridyl)propionic acid isopropyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)C(C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC(C)C

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)C(C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC(C)C

InChI

InChI=1S/C19H21NO5S/c1-12(2)25-19(22)17(18(21)15-6-5-13(3)20-11-15)14-7-9-16(10-8-14)26(4,23)24/h5-12,17H,1-4H3