ethyl 3-[[2-[2-(2-nitrophenoxy)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(2-nitrophenoxy)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[2-(2-nitrophenoxy)acetyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[2-(2-nitrophenoxy)-1-oxoethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(2-nitrophenoxy)acetyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[2-(2-nitrophenoxy)acetyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6S/c1-2-26-16(23)8-9-18-17(28)20-11-5-10-19(20)15(22)12-27-14-7-4-3-6-13(14)21(24)25/h3-4,6-7H,2,5,8-12H2,1H3,(H,18,28)