3-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-5-(3-methylphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-5-(3-methylphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-5-(m-tolyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-5-(3-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-methylphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-5-(m-tolyl)-4-(2-thenoyl)proline Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O5S/c1-17-6-4-7-20(14-17)25-23(26(32)21-8-5-13-36-21)24(19-11-9-18(15-29)10-12-19)28(2,27(33)34)30(25)22(31)16-35-3/h4-14,23-25H,16H2,1-3H3,(H,33,34)