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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-cyclobutylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-[cyclobutyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(2-thenoyl)proline Formula: C28H24ClNO6S MolecularWeight: 538.01126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=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

C1CC(C1)C(=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/C28H24ClNO6S/c29-18-9-6-15(7-10-18)22-23(26(31)21-5-2-12-37-21)24(17-8-11-19-20(13-17)36-14-35-19)30(25(22)28(33)34)27(32)16-3-1-4-16/h2,5-13,16,22-25H,1,3-4,14H2,(H,33,34)