ethyl 3-[(phenylmethyl)amino]-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: ethyl 3-[(phenylmethyl)amino]-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: ethyl 3-(benzylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-[(phenylmethyl)amino]-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(benzylamino)-2-(2-pyridyl)-3-thioxo-propionic acid ethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=N1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=N1)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S/c1-2-21-17(20)15(14-10-6-7-11-18-14)16(22)19-12-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,22)