(2R)-1-(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[[5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[5-chloro-2-hydroxy-3-(2-thenoyl)indole-1-carbonyl]proline Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)N2C3=C(C=C(C=C3)Cl)C(=C2O)C(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)N2C3=C(C=C(C=C3)Cl)C(=C2O)C(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C19H15ClN2O5S/c20-10-5-6-12-11(9-10)15(16(23)14-4-2-8-28-14)17(24)22(12)19(27)21-7-1-3-13(21)18(25)26/h2,4-6,8-9,13,24H,1,3,7H2,(H,25,26)/t13-/m1/s1