2-(hydroxymethyl)-1-(2-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(hydroxymethyl)-1-(2-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(hydroxymethyl)-1-(2-methylbenzoyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(hydroxymethyl)-1-[(2-methylphenyl)-oxomethyl]-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(hydroxymethyl)-1-(2-methylbenzoyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-methylol-1-o-toluoyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C19H19NO6S MolecularWeight: 389.42226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(C(CC2(CO)C(=O)O)C(=O)O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(C(CC2(CO)C(=O)O)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C19H19NO6S/c1-11-5-2-3-6-12(11)16(22)20-15(14-7-4-8-27-14)13(17(23)24)9-19(20,10-21)18(25)26/h2-8,13,15,21H,9-10H2,1H3,(H,23,24)(H,25,26)