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

Systemtic Name: cycloheptylmethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: cycloheptylmethyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid cycloheptylmethyl ester IUPAC Name: cycloheptylmethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid cycloheptylmethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2CCCCCC2

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2CCCCCC2

InChI

InChI=1S/C17H24N2O2S/c1-18-16(22)15(14-10-6-7-11-19-14)17(20)21-12-13-8-4-2-3-5-9-13/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,18,22)