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

Systemtic Name: 3-(4-tert-butylphenyl)-1-(2-methoxyethanoyl)-2-methyl-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-nitrophenyl)-4-(2-thenoyl)proline Formula: C30H32N2O7S MolecularWeight: 564.64928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C30H32N2O7S/c1-29(2,3)20-13-11-18(12-14-20)25-24(27(34)22-10-7-15-40-22)26(19-8-6-9-21(16-19)32(37)38)31(23(33)17-39-5)30(25,4)28(35)36/h6-16,24-26H,17H2,1-5H3,(H,35,36)