methyl 2-[[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

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