S-(pyridin-2-ylmethyl) 3-[4-[methyl(prop-2-enoxycarbonyl)amino]butyl]-2-oxidanylidene-azetidine-1-carbothioate

Systemtic Name: S-(pyridin-2-ylmethyl) 3-[4-[methyl(prop-2-enoxycarbonyl)amino]butyl]-2-oxidanylidene-azetidine-1-carbothioate Openeye Name: S-(2-pyridylmethyl) 3-[4-[allyloxycarbonyl(methyl)amino]butyl]-2-oxo-azetidine-1-carbothioate CAS Name: 3-[4-[methyl-[oxo(prop-2-enoxy)methyl]amino]butyl]-2-oxo-1-azetidinecarbothioic acid S-(2-pyridinylmethyl) ester IUPAC Name: S-(pyridin-2-ylmethyl) 3-[4-[methyl(prop-2-enoxycarbonyl)amino]butyl]-2-oxoazetidine-1-carbothioate Traditional Name: 3-[4-[allyloxycarbonyl(methyl)amino]butyl]-2-keto-azetidine-1-carbothioic acid S-(2-pyridylmethyl) ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1CN(C1=O)C(=O)SCC2=CC=CC=N2)C(=O)OCC=C

Isomeric SMILES

CN(CCCCC1CN(C1=O)C(=O)SCC2=CC=CC=N2)C(=O)OCC=C

InChI

InChI=1S/C19H25N3O4S/c1-3-12-26-18(24)21(2)11-7-5-8-15-13-22(17(15)23)19(25)27-14-16-9-4-6-10-20-16/h3-4,6,9-10,15H,1,5,7-8,11-14H2,2H3