ethyl 3-[2-(chloromethyl)-3-methyl-pyridin-4-yl]sulfanyl-2-(dimethylamino)propanoate

Systemtic Name: ethyl 3-[2-(chloromethyl)-3-methyl-pyridin-4-yl]sulfanyl-2-(dimethylamino)propanoate Openeye Name: ethyl 3-[[2-(chloromethyl)-3-methyl-4-pyridyl]sulfanyl]-2-(dimethylamino)propanoate CAS Name: 3-[[2-(chloromethyl)-3-methyl-4-pyridinyl]thio]-2-(dimethylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(chloromethyl)-3-methylpyridin-4-yl]sulfanyl-2-(dimethylamino)propanoate Traditional Name: 3-[[2-(chloromethyl)-3-methyl-4-pyridyl]thio]-2-(dimethylamino)propionic acid ethyl ester Formula: C14H21ClN2O2S MolecularWeight: 316.84674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=C(C(=NC=C1)CCl)C)N(C)C

Isomeric SMILES

CCOC(=O)C(CSC1=C(C(=NC=C1)CCl)C)N(C)C

InChI

InChI=1S/C14H21ClN2O2S/c1-5-19-14(18)12(17(3)4)9-20-13-6-7-16-11(8-15)10(13)2/h6-7,12H,5,8-9H2,1-4H3