ethyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-4-(dimethylamino)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(dimethylamino)-2-pyridyl]thio]acetic acid ethyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=C1C#N)N(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=C1C#N)N(C)C

InChI

InChI=1S/C12H15N3O2S/c1-4-17-11(16)8-18-12-9(7-13)10(15(2)3)5-6-14-12/h5-6H,4,8H2,1-3H3