S-[1,3-bis[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl] ethanethioate

Systemtic Name: S-[1,3-bis[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl] ethanethioate Openeye Name: S-[2-[(4-nitrophenyl)methoxycarbonylamino]-1-[[(4-nitrophenyl)methoxycarbonylamino]methyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[1,3-bis[[(4-nitrophenyl)methoxy-oxomethyl]amino]propan-2-yl] ester IUPAC Name: S-[1,3-bis[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-nitrobenzyl)oxycarbonylamino]-1-[[(4-nitrobenzyl)oxycarbonylamino]methyl]ethyl] ester Formula: C21H22N4O9S MolecularWeight: 506.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O9S/c1-14(26)35-19(10-22-20(27)33-12-15-2-6-17(7-3-15)24(29)30)11-23-21(28)34-13-16-4-8-18(9-5-16)25(31)32/h2-9,19H,10-13H2,1H3,(H,22,27)(H,23,28)