(phenylmethyl) 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: benzyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid benzyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S/c1-17-15(21)14(13-9-5-6-10-18-13)16(19)20-11-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,17,21)