S-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl] 2-[[(E)-3-phenylprop-2-enoxy]carbonylamino]ethanethioate

Systemtic Name: S-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl] 2-[[(E)-3-phenylprop-2-enoxy]carbonylamino]ethanethioate Openeye Name: S-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl] 2-[[(E)-cinnamyl]oxycarbonylamino]ethanethioate CAS Name: 2-[[oxo-[(E)-3-phenylprop-2-enoxy]methyl]amino]ethanethioic acid S-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl] ester IUPAC Name: S-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] 2-[[(E)-3-phenylprop-2-enoxy]carbonylamino]ethanethioate Traditional Name: 2-[[(E)-cinnamyl]oxycarbonylamino]ethanethioic acid S-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl] ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)SC(=O)CNC(=O)OCC=CC2=CC=CC=C2)O

Isomeric SMILES

CC(C1C(NC1=O)SC(=O)CNC(=O)OC/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C17H20N2O5S/c1-11(20)14-15(22)19-16(14)25-13(21)10-18-17(23)24-9-5-8-12-6-3-2-4-7-12/h2-8,11,14,16,20H,9-10H2,1H3,(H,18,23)(H,19,22)/b8-5+