(4,5-dimethoxy-2-nitro-phenyl)methyl 2-[(3-ethoxy-3-oxidanylidene-propyl)carbamothioyl]pyrazolidine-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-[(3-ethoxy-3-oxidanylidene-propyl)carbamothioyl]pyrazolidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-[(3-ethoxy-3-oxo-propyl)carbamothioyl]pyrazolidine-1-carboxylate CAS Name: 2-[[(3-ethoxy-3-oxopropyl)amino]-sulfanylidenemethyl]-1-pyrazolidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 2-[(3-ethoxy-3-oxopropyl)carbamothioyl]pyrazolidine-1-carboxylate Traditional Name: 2-[(3-ethoxy-3-keto-propyl)thiocarbamoyl]pyrazolidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C19H26N4O8S MolecularWeight: 470.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H26N4O8S/c1-4-30-17(24)6-7-20-18(32)21-8-5-9-22(21)19(25)31-12-13-10-15(28-2)16(29-3)11-14(13)23(26)27/h10-11H,4-9,12H2,1-3H3,(H,20,32)