1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-4-methoxycarbonyl-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-1-[(4-fluorophenyl)carbamoyl]-5-(2-thienyl)proline Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O5S/c1-26-17(24)12-9-13(16(22)23)21(15(12)14-3-2-8-27-14)18(25)20-11-6-4-10(19)5-7-11/h2-8,12-13,15H,9H2,1H3,(H,20,25)(H,22,23)