2-[2-[2-[(4-methoxyphenyl)methylsulfanyl]ethanoylamino]ethylsulfonyl]ethyl (4-nitrophenyl) carbonate

Systemtic Name: 2-[2-[2-[(4-methoxyphenyl)methylsulfanyl]ethanoylamino]ethylsulfonyl]ethyl (4-nitrophenyl) carbonate Openeye Name: 2-[2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]ethylsulfonyl]ethyl (4-nitrophenyl) carbonate CAS Name: carbonic acid 2-[2-[[2-[(4-methoxyphenyl)methylthio]-1-oxoethyl]amino]ethylsulfonyl]ethyl (4-nitrophenyl) ester IUPAC Name: 2-[2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]ethylsulfonyl]ethyl (4-nitrophenyl) carbonate Traditional Name: carbonic acid (4-nitrophenyl) 2-[2-[[2-(p-anisylthio)acetyl]amino]ethylsulfonyl]ethyl ester Formula: C21H24N2O9S2 MolecularWeight: 512.55326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(=O)NCCS(=O)(=O)CCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(=O)NCCS(=O)(=O)CCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O9S2/c1-30-18-6-2-16(3-7-18)14-33-15-20(24)22-10-12-34(28,29)13-11-31-21(25)32-19-8-4-17(5-9-19)23(26)27/h2-9H,10-15H2,1H3,(H,22,24)