2-(hydroxymethyl)-1-naphthalen-1-ylcarbonyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(hydroxymethyl)-1-naphthalen-1-ylcarbonyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(hydroxymethyl)-1-(naphthalene-1-carbonyl)-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(hydroxymethyl)-1-[1-naphthalenyl(oxo)methyl]-5-(2-thiazolyl)pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(hydroxymethyl)-1-(naphthalene-1-carbonyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-methylol-1-(1-naphthoyl)-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1(CO)C(=O)O)C(=O)C2=CC=CC3=CC=CC=C32)C4=NC=CS4)C(=O)O

Isomeric SMILES

C1C(C(N(C1(CO)C(=O)O)C(=O)C2=CC=CC3=CC=CC=C32)C4=NC=CS4)C(=O)O

InChI

InChI=1S/C21H18N2O6S/c24-11-21(20(28)29)10-15(19(26)27)16(17-22-8-9-30-17)23(21)18(25)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,15-16,24H,10-11H2,(H,26,27)(H,28,29)