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

Systemtic Name: 2-(hydroxymethyl)-1-naphthalen-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(hydroxymethyl)-1-(naphthalene-1-carbonyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(hydroxymethyl)-1-[1-naphthalenyl(oxo)methyl]-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(hydroxymethyl)-1-(naphthalene-1-carbonyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-methylol-1-(1-naphthoyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C22H19NO6S MolecularWeight: 425.45436

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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=CC=CS4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO6S/c24-12-22(21(28)29)11-16(20(26)27)18(17-9-4-10-30-17)23(22)19(25)15-8-3-6-13-5-1-2-7-14(13)15/h1-10,16,18,24H,11-12H2,(H,26,27)(H,28,29)