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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-cyclopropylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-[cyclopropyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-4-(2-thenoyl)proline Formula: C27H22ClNO6S MolecularWeight: 523.98468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=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

C1CC1C(=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/C27H22ClNO6S/c28-17-8-5-14(6-9-17)21-22(25(30)20-2-1-11-36-20)23(16-7-10-18-19(12-16)35-13-34-18)29(24(21)27(32)33)26(31)15-3-4-15/h1-2,5-12,15,21-24H,3-4,13H2,(H,32,33)