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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)Cl)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)Cl)C(=O)O

InChI

InChI=1S/C28H24ClNO6S/c1-28(27(33)34)23(15-6-9-18(29)10-7-15)22(25(31)21-3-2-12-37-21)24(30(28)26(32)16-4-5-16)17-8-11-19-20(13-17)36-14-35-19/h2-3,6-13,16,22-24H,4-5,14H2,1H3,(H,33,34)