ethyl 3-[[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O5S2/c1-3-26-17(23)9-10-19-18(27)21-12-4-11-20(21)16(22)13-14-5-7-15(8-6-14)28(2,24)25/h5-8H,3-4,9-13H2,1-2H3,(H,19,27)