2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-4-methylsulfonyl-butanoic acid Openeye Name: 2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-4-methylsulfonyl-butanoic acid CAS Name: 2-(3-methyl-2,5-dioxo-1-pyrrolyl)-4-methylsulfonylbutanoic acid IUPAC Name: 2-(3-methyl-2,5-dioxopyrrol-1-yl)-4-methylsulfonylbutanoic acid Traditional Name: 2-citraconimido-4-mesyl-butyric acid Formula: C10H13NO6S MolecularWeight: 275.27832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)C(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=O)N(C1=O)C(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C10H13NO6S/c1-6-5-8(12)11(9(6)13)7(10(14)15)3-4-18(2,16)17/h5,7H,3-4H2,1-2H3,(H,14,15)