3-(4-tert-butylphenyl)-1-(2-methoxyethanoyl)-5-(3-methylthiophen-2-yl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-(2-methoxyethanoyl)-5-(3-methylthiophen-2-yl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-5-(3-methyl-2-thienyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-(2-methoxy-1-oxoethyl)-5-(3-methyl-2-thiophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-5-(3-methylthiophen-2-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-5-(3-methyl-2-thienyl)-4-(2-thenoyl)proline Formula: C28H31NO5S2 MolecularWeight: 525.67944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)COC)C(=O)O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)COC)C(=O)O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H31NO5S2/c1-16-12-14-36-26(16)23-22(25(31)19-7-6-13-35-19)21(17-8-10-18(11-9-17)28(2,3)4)24(27(32)33)29(23)20(30)15-34-5/h6-14,21-24H,15H2,1-5H3,(H,32,33)