S-(pyridin-2-ylmethyl) 5-[methyl(prop-2-enoxycarbonyl)amino]pentanethioate

Systemtic Name: S-(pyridin-2-ylmethyl) 5-[methyl(prop-2-enoxycarbonyl)amino]pentanethioate Openeye Name: S-(2-pyridylmethyl) 5-[allyloxycarbonyl(methyl)amino]pentanethioate CAS Name: 5-[methyl-[oxo(prop-2-enoxy)methyl]amino]pentanethioic acid S-(2-pyridinylmethyl) ester IUPAC Name: S-(pyridin-2-ylmethyl) 5-[methyl(prop-2-enoxycarbonyl)amino]pentanethioate Traditional Name: 5-[allyloxycarbonyl(methyl)amino]pentanethioic acid S-(2-pyridylmethyl) ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)SCC1=CC=CC=N1)C(=O)OCC=C

Isomeric SMILES

CN(CCCCC(=O)SCC1=CC=CC=N1)C(=O)OCC=C

InChI

InChI=1S/C16H22N2O3S/c1-3-12-21-16(20)18(2)11-7-5-9-15(19)22-13-14-8-4-6-10-17-14/h3-4,6,8,10H,1,5,7,9,11-13H2,2H3