(4-nitrophenyl)methyl (E)-3-ethanoylsulfanyl-3-(2-ethoxyethylsulfanyl)-2-(2-ethylsulfinyl-4-oxidanylidene-azetidin-1-yl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-ethanoylsulfanyl-3-(2-ethoxyethylsulfanyl)-2-(2-ethylsulfinyl-4-oxidanylidene-azetidin-1-yl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-acetylsulfanyl-3-(2-ethoxyethylsulfanyl)-2-(2-ethylsulfinyl-4-oxo-azetidin-1-yl)prop-2-enoate CAS Name: (E)-3-(acetylthio)-3-(2-ethoxyethylthio)-2-(2-ethylsulfinyl-4-oxo-1-azetidinyl)-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-acetylsulfanyl-3-(2-ethoxyethylsulfanyl)-2-(2-ethylsulfinyl-4-oxoazetidin-1-yl)prop-2-enoate Traditional Name: (E)-3-(acetylthio)-3-(2-ethoxyethylthio)-2-(2-ethylsulfinyl-4-keto-azetidin-1-yl)acrylic acid (4-nitrobenzyl) ester Formula: C21H26N2O8S3 MolecularWeight: 530.63474

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)S(=O)CC)SC(=O)C

Isomeric SMILES

CCOCCS/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2C(CC2=O)S(=O)CC)/SC(=O)C

InChI

InChI=1S/C21H26N2O8S3/c1-4-30-10-11-32-21(33-14(3)24)19(22-17(25)12-18(22)34(29)5-2)20(26)31-13-15-6-8-16(9-7-15)23(27)28/h6-9,18H,4-5,10-13H2,1-3H3/b21-19+