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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyethanoyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-2-methyl-4-(2-thenoyl)proline Formula: C31H33NO7S MolecularWeight: 563.66122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

InChI

InChI=1S/C31H33NO7S/c1-30(2,3)20-11-8-18(9-12-20)26-25(28(34)23-7-6-14-40-23)27(19-10-13-21-22(15-19)39-17-38-21)32(24(33)16-37-5)31(26,4)29(35)36/h6-15,25-27H,16-17H2,1-5H3,(H,35,36)