tert-butyl 2-cyclopropylcarbonyl-3-(2-methylsulfanylpyridin-3-yl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-(2-methylsulfanylpyridin-3-yl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(2-methylsulfanyl-3-pyridyl)-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[2-(methylthio)-3-pyridinyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(2-methylsulfanylpyridin-3-yl)-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[2-(methylthio)-3-pyridyl]propionic acid tert-butyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H21NO4S/c1-17(2,3)22-16(21)12(13(19)10-7-8-10)14(20)11-6-5-9-18-15(11)23-4/h5-6,9-10,12H,7-8H2,1-4H3