ethyl 3-[[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(2-mesylbenzoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H23N3O5S2/c1-3-25-15(21)9-10-18-17(26)20-12-6-11-19(20)16(22)13-7-4-5-8-14(13)27(2,23)24/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,18,26)