(4-nitrophenyl)methyl 2-(2-acetamidoethoxysulfanylcarbonylsulfanyl)-2-(3-ethylsulfanyl-2-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-acetamidoethoxysulfanylcarbonylsulfanyl)-2-(3-ethylsulfanyl-2-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-acetamidoethoxysulfanylcarbonylsulfanyl)-2-(3-ethylsulfanyl-2-oxo-azetidin-1-yl)acetate CAS Name: 2-[[(2-acetamidoethoxythio)-oxomethyl]thio]-2-[3-(ethylthio)-2-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-acetamidoethoxysulfanylcarbonylsulfanyl)-2-(3-ethylsulfanyl-2-oxoazetidin-1-yl)acetate Traditional Name: 2-[(2-acetamidoethoxythio)carbonylthio]-2-[3-(ethylthio)-2-keto-azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C19H23N3O8S3 MolecularWeight: 517.59622

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CN(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)SOCCNC(=O)C

Isomeric SMILES

CCSC1CN(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)SOCCNC(=O)C

InChI

InChI=1S/C19H23N3O8S3/c1-3-31-15-10-21(16(15)24)17(32-19(26)33-30-9-8-20-12(2)23)18(25)29-11-13-4-6-14(7-5-13)22(27)28/h4-7,15,17H,3,8-11H2,1-2H3,(H,20,23)