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

Systemtic Name: ethyl 2-[[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S2/c1-3-25-16(22)12-18-17(26)20-10-4-9-19(20)15(21)11-13-5-7-14(8-6-13)27(2,23)24/h5-8H,3-4,9-12H2,1-2H3,(H,18,26)