(4-nitrophenyl)methyl 3,3-bis(ethanoylsulfanyl)-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 3,3-bis(ethanoylsulfanyl)-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl 3,3-bis(acetylsulfanyl)-2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)prop-2-enoate CAS Name: 3,3-bis(acetylthio)-2-[2-(methylthio)-4-oxo-1-azetidinyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3,3-bis(acetylsulfanyl)-2-(2-methylsulfanyl-4-oxoazetidin-1-yl)prop-2-enoate Traditional Name: 3,3-bis(acetylthio)-2-[2-keto-4-(methylthio)azetidin-1-yl]acrylic acid (4-nitrobenzyl) ester Formula: C18H18N2O7S3 MolecularWeight: 470.53972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S3/c1-10(21)29-18(30-11(2)22)16(19-14(23)8-15(19)28-3)17(24)27-9-12-4-6-13(7-5-12)20(25)26/h4-7,15H,8-9H2,1-3H3