(1-ethanoyl-5-methoxycarbonyl-2,2-dimethyl-3H-pyrrol-4-yl)-methyl-[2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]sulfanium

Systemtic Name: (1-ethanoyl-5-methoxycarbonyl-2,2-dimethyl-3H-pyrrol-4-yl)-methyl-[2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]sulfanium Openeye Name: (1-acetyl-5-methoxycarbonyl-2,2-dimethyl-3H-pyrrol-4-yl)-methyl-[2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]sulfonium CAS Name: (1-acetyl-5-methoxycarbonyl-2,2-dimethyl-3H-pyrrol-4-yl)-methyl-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethyl]sulfonium IUPAC Name: (1-acetyl-5-methoxycarbonyl-2,2-dimethyl-3H-pyrrol-4-yl)-methyl-[2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]sulfanium Traditional Name: (1-acetyl-2-carbomethoxy-5,5-dimethyl-2-pyrrolin-3-yl)-methyl-[2-[(4-nitrobenzyl)oxycarbonylamino]ethyl]sulfonium Formula: C21H28N3O7S+ MolecularWeight: 466.52792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(CC1(C)C)[S+](C)CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)N1C(=C(CC1(C)C)[S+](C)CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H27N3O7S/c1-14(25)23-18(19(26)30-4)17(12-21(23,2)3)32(5)11-10-22-20(27)31-13-15-6-8-16(9-7-15)24(28)29/h6-9H,10-13H2,1-5H3/p+1