2-(hydroxymethyl)-1-(2-methylphenyl)carbonyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(hydroxymethyl)-1-(2-methylphenyl)carbonyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(hydroxymethyl)-1-(2-methylbenzoyl)-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(hydroxymethyl)-1-[(2-methylphenyl)-oxomethyl]-5-(2-thiazolyl)pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(hydroxymethyl)-1-(2-methylbenzoyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-methylol-1-o-toluoyl-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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=NC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-10-4-2-3-5-11(10)15(22)20-13(14-19-6-7-27-14)12(16(23)24)8-18(20,9-21)17(25)26/h2-7,12-13,21H,8-9H2,1H3,(H,23,24)(H,25,26)