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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-2-(hydroxymethyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 1-(4-chlorobenzoyl)-2-(hydroxymethyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-2-(hydroxymethyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-(4-chlorobenzoyl)-2-(hydroxymethyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 1-(4-chlorobenzoyl)-2-methylol-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1(CO)C(=O)O)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1C(C(N(C1(CO)C(=O)O)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H16ClNO6S/c19-11-5-3-10(4-6-11)15(22)20-14(13-2-1-7-27-13)12(16(23)24)8-18(20,9-21)17(25)26/h1-7,12,14,21H,8-9H2,(H,23,24)(H,25,26)