diethyl 2-[2-(4-chloranylpyridin-2-yl)-1-methylsulfanyl-butylidene]propanedioate

Systemtic Name: diethyl 2-[2-(4-chloranylpyridin-2-yl)-1-methylsulfanyl-butylidene]propanedioate Openeye Name: diethyl 2-[2-(4-chloro-2-pyridyl)-1-methylsulfanyl-butylidene]propanedioate CAS Name: 2-[2-(4-chloro-2-pyridinyl)-1-(methylthio)butylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-chloropyridin-2-yl)-1-methylsulfanylbutylidene]propanedioate Traditional Name: 2-[2-(4-chloro-2-pyridyl)-1-(methylthio)butylidene]malonic acid diethyl ester Formula: C17H22ClNO4S MolecularWeight: 371.87888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC=CC(=C1)Cl)C(=C(C(=O)OCC)C(=O)OCC)SC

Isomeric SMILES

CCC(C1=NC=CC(=C1)Cl)C(=C(C(=O)OCC)C(=O)OCC)SC

InChI

InChI=1S/C17H22ClNO4S/c1-5-12(13-10-11(18)8-9-19-13)15(24-4)14(16(20)22-6-2)17(21)23-7-3/h8-10,12H,5-7H2,1-4H3