[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H24N4O5S2/c1-14-10-15(2)22-20(21-14)30-13-19(26)29-12-18(25)23-16-6-5-7-17(11-16)31(27,28)24-8-3-4-9-24/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,23,25)