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

Systemtic Name: ethyl 2-[[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(2-mesylbenzoyl)pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S2/c1-3-24-14(20)11-17-16(25)19-10-6-9-18(19)15(21)12-7-4-5-8-13(12)26(2,22)23/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,17,25)