3-(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-methylthiophen-2-yl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-methylthiophen-2-yl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-2-methyl-5-(3-methyl-2-thienyl)-1-(m-tolylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-5-(3-methyl-2-thiophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-methylthiophen-2-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-2-methyl-5-(3-methyl-2-thienyl)-1-(m-tolylcarbamoyl)-4-(2-thenoyl)proline Formula: C30H27ClN2O4S2 MolecularWeight: 579.12938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=C(C=CS5)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=C(C=CS5)C

InChI

InChI=1S/C30H27ClN2O4S2/c1-17-6-4-7-21(16-17)32-29(37)33-25(27-18(2)13-15-39-27)23(26(34)22-8-5-14-38-22)24(30(33,3)28(35)36)19-9-11-20(31)12-10-19/h4-16,23-25H,1-3H3,(H,32,37)(H,35,36)