tert-butyl 3-(5-methyl-2-sulfanylidene-1H-pyridin-3-yl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-(5-methyl-2-sulfanylidene-1H-pyridin-3-yl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-(5-methyl-2-thioxo-1H-pyridin-3-yl)-3-oxo-propanoate CAS Name: 3-(5-methyl-2-sulfanylidene-1H-pyridin-3-yl)-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-methyl-2-sulfanylidene-1H-pyridin-3-yl)-3-oxopropanoate Traditional Name: 3-keto-3-(5-methyl-2-thioxo-1H-pyridin-3-yl)propionic acid tert-butyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=S)C(=C1)C(=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CNC(=S)C(=C1)C(=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C13H17NO3S/c1-8-5-9(12(18)14-7-8)10(15)6-11(16)17-13(2,3)4/h5,7H,6H2,1-4H3,(H,14,18)