(4-nitrophenyl)methyl 2-(2-ethoxyethylsulfanylcarbothioylsulfanyl)-2-(2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-ethoxyethylsulfanylcarbothioylsulfanyl)-2-(2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-ethoxyethylsulfanylcarbothioylsulfanyl)-2-(2-ethylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: 2-[[(2-ethoxyethylthio)-sulfanylidenemethyl]thio]-2-[2-(ethylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-ethoxyethylsulfanylcarbothioylsulfanyl)-2-(2-ethylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: 2-[(2-ethoxyethylthio)carbothioylthio]-2-[2-(ethylthio)-4-keto-azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C19H24N2O6S4 MolecularWeight: 504.66366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S4/c1-3-26-9-10-30-19(28)31-17(20-15(22)11-16(20)29-4-2)18(23)27-12-13-5-7-14(8-6-13)21(24)25/h5-8,16-17H,3-4,9-12H2,1-2H3