ethyl 3-(propylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: ethyl 3-(propylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: ethyl 3-(propylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(propylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl 3-(propylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(propylamino)-2-(2-pyridyl)-3-thioxo-propionic acid ethyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)C(C1=CC=CC=N1)C(=O)OCC

Isomeric SMILES

CCCNC(=S)C(C1=CC=CC=N1)C(=O)OCC

InChI

InChI=1S/C13H18N2O2S/c1-3-8-15-12(18)11(13(16)17-4-2)10-7-5-6-9-14-10/h5-7,9,11H,3-4,8H2,1-2H3,(H,15,18)