[2-[[1-(aminocarbonylamino)-2-methyl-propan-2-yl]oxymethyl]-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate

Systemtic Name: [2-[[1-(aminocarbonylamino)-2-methyl-propan-2-yl]oxymethyl]-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Openeye Name: [2-[(1,1-dimethyl-2-ureido-ethoxy)methyl]-4-nitro-phenyl]methyl 2-thioxopyrrolidine-1-carboxylate CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid [2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-nitrophenyl]methyl ester IUPAC Name: [2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-nitrophenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-thioxopyrrolidine-1-carboxylic acid [2-[(1,1-dimethyl-2-ureido-ethoxy)methyl]-4-nitro-benzyl] ester Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)N)OCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

Isomeric SMILES

CC(C)(CNC(=O)N)OCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

InChI

InChI=1S/C18H24N4O6S/c1-18(2,11-20-16(19)23)28-10-13-8-14(22(25)26)6-5-12(13)9-27-17(24)21-7-3-4-15(21)29/h5-6,8H,3-4,7,9-11H2,1-2H3,(H3,19,20,23)