methyl 2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-5-(p-tolylmethylcarbamoyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-5-[(4-methylbenzyl)carbamoyl]-1-(2-thenoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C27H25N3O4S/c1-17-5-7-19(8-6-17)16-29-25(31)22-14-21(27(33)34-2)24(20-11-9-18(15-28)10-12-20)30(22)26(32)23-4-3-13-35-23/h3-13,21-22,24H,14,16H2,1-2H3,(H,29,31)