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

Systemtic Name: methyl 2-[[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(2-mesylbenzoyl)pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C15H19N3O5S2 MolecularWeight: 385.45846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S2/c1-23-13(19)10-16-15(24)18-9-5-8-17(18)14(20)11-6-3-4-7-12(11)25(2,21)22/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,24)