5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-morpholin-4-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-morpholin-4-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-[4-morpholinyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(2-thenoyl)proline Formula: C28H25ClN2O7S MolecularWeight: 569.0253

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1C(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H25ClN2O7S/c29-18-6-3-16(4-7-18)22-23(26(32)21-2-1-13-39-21)24(17-5-8-19-20(14-17)38-15-37-19)31(25(22)27(33)34)28(35)30-9-11-36-12-10-30/h1-8,13-14,22-25H,9-12,15H2,(H,33,34)