2-[3-methoxycarbonyl-4-methyl-2-(methylsulfonyloxymethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-methoxycarbonyl-4-methyl-2-(methylsulfonyloxymethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-methoxycarbonyl-4-methyl-2-(methylsulfonyloxymethyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3-methoxycarbonyl-4-methyl-2-(methylsulfonyloxymethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-methoxycarbonyl-4-methyl-2-(methylsulfonyloxymethyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[3-carbomethoxy-4-methyl-2-(methylsulfonyloxymethyl)pyrrol-2-yl]acetic acid Formula: C11H15NO7S MolecularWeight: 305.3043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C1)(CC(=O)O)COS(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(N=C1)(CC(=O)O)COS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C11H15NO7S/c1-7-5-12-11(4-8(13)14,6-19-20(3,16)17)9(7)10(15)18-2/h5H,4,6H2,1-3H3,(H,13,14)