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

Systemtic Name: 2-cyclohexylethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: 2-cyclohexylethyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 2-cyclohexylethyl ester IUPAC Name: 2-cyclohexylethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid 2-cyclohexylethyl 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)OCCC2CCCCC2

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OCCC2CCCCC2

InChI

InChI=1S/C17H24N2O2S/c1-18-16(22)15(14-9-5-6-11-19-14)17(20)21-12-10-13-7-3-2-4-8-13/h5-6,9,11,13,15H,2-4,7-8,10,12H2,1H3,(H,18,22)