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

Systemtic Name: 2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-4-methylsulfanyl-butanoic acid CAS Name: 2-(3-methyl-2,5-dioxo-1-pyrrolyl)-4-(methylthio)butanoic acid IUPAC Name: 2-(3-methyl-2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanoic acid Traditional Name: 2-citraconimido-4-(methylthio)butyric acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4S/c1-6-5-8(12)11(9(6)13)7(10(14)15)3-4-16-2/h5,7H,3-4H2,1-2H3,(H,14,15)