ethyl 3-[(2-nitrophenyl)carbamothioylamino]pyrrolidine-1-carboxylate

Systemtic Name: ethyl 3-[(2-nitrophenyl)carbamothioylamino]pyrrolidine-1-carboxylate Openeye Name: ethyl 3-[(2-nitrophenyl)carbamothioylamino]pyrrolidine-1-carboxylate CAS Name: 3-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-nitrophenyl)carbamothioylamino]pyrrolidine-1-carboxylate Traditional Name: 3-[(2-nitrophenyl)thiocarbamoylamino]pyrrolidine-1-carboxylic acid ethyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(C1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-2-22-14(19)17-8-7-10(9-17)15-13(23)16-11-5-3-4-6-12(11)18(20)21/h3-6,10H,2,7-9H2,1H3,(H2,15,16,23)