S-(1-ethyl-2-oxidanylidene-azetidin-3-yl) 1-methylpyrrole-2-carbothioate

Systemtic Name: S-(1-ethyl-2-oxidanylidene-azetidin-3-yl) 1-methylpyrrole-2-carbothioate Openeye Name: S-(1-ethyl-2-oxo-azetidin-3-yl) 1-methylpyrrole-2-carbothioate CAS Name: 1-methyl-2-pyrrolecarbothioic acid S-(1-ethyl-2-oxo-3-azetidinyl) ester IUPAC Name: S-(1-ethyl-2-oxoazetidin-3-yl) 1-methylpyrrole-2-carbothioate Traditional Name: 1-methylpyrrole-2-carbothioic acid S-(1-ethyl-2-keto-azetidin-3-yl) ester Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C1=O)SC(=O)C2=CC=CN2C

Isomeric SMILES

CCN1CC(C1=O)SC(=O)C2=CC=CN2C

InChI

InChI=1S/C11H14N2O2S/c1-3-13-7-9(10(13)14)16-11(15)8-5-4-6-12(8)2/h4-6,9H,3,7H2,1-2H3