4-ethoxycarbonyl-1-[(4-methylphenyl)carbamoyl]-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-1-[(4-methylphenyl)carbamoyl]-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-1-(p-tolylcarbamoyl)-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-1-[(4-methylanilino)-oxomethyl]-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-1-[(4-methylphenyl)carbamoyl]-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbethoxy-1-(p-tolylcarbamoyl)-5-(2-thienyl)proline Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-3-27-19(25)14-11-15(18(23)24)22(17(14)16-5-4-10-28-16)20(26)21-13-8-6-12(2)7-9-13/h4-10,14-15,17H,3,11H2,1-2H3,(H,21,26)(H,23,24)