diethyl 2-[(pyridin-3-ylcarbothioylamino)methylidene]propanedioate

Systemtic Name: diethyl 2-[(pyridin-3-ylcarbothioylamino)methylidene]propanedioate Openeye Name: diethyl 2-[(pyridine-3-carbothioylamino)methylene]propanedioate CAS Name: 2-[[[3-pyridinyl(sulfanylidene)methyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(pyridine-3-carbothioylamino)methylidene]propanedioate Traditional Name: 2-[(pyridine-3-carbothioylamino)methylene]malonic acid diethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)C1=CN=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC(=S)C1=CN=CC=C1)C(=O)OCC

InChI

InChI=1S/C14H16N2O4S/c1-3-19-13(17)11(14(18)20-4-2)9-16-12(21)10-6-5-7-15-8-10/h5-9H,3-4H2,1-2H3,(H,16,21)