4-(4-methylphenyl)sulfanylcarbonylpyrrolidine-1,2-dicarboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfanylcarbonylpyrrolidine-1,2-dicarboxylic acid Openeye Name: 4-(p-tolylsulfanylcarbonyl)pyrrolidine-1,2-dicarboxylic acid CAS Name: 4-[[(4-methylphenyl)thio]-oxomethyl]pyrrolidine-1,2-dicarboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfanylcarbonylpyrrolidine-1,2-dicarboxylic acid Traditional Name: 4-(p-tolylthio)carbonylpyrrolidine-1,2-dicarboxylic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2CC(N(C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2CC(N(C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO5S/c1-8-2-4-10(5-3-8)21-13(18)9-6-11(12(16)17)15(7-9)14(19)20/h2-5,9,11H,6-7H2,1H3,(H,16,17)(H,19,20)