1-(2-methoxyethanoyl)-2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methoxyethanoyl)-2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methoxyacetyl)-2-methyl-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-methoxy-1-oxoethyl)-2-methyl-5-(4-methylphenyl)-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methoxyacetyl)-2-methyl-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-(2-methoxyacetyl)-2-methyl-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)proline Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)COC)(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)COC)(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O7S/c1-16-6-8-17(9-7-16)24-22(25(31)18-10-12-19(13-11-18)29(34)35)23(20-5-4-14-37-20)27(2,26(32)33)28(24)21(30)15-36-3/h4-14,22-24H,15H2,1-3H3,(H,32,33)