methyl 1-[(4-methylphenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[(4-methylphenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 5-(piperazine-1-carbonyl)-1-(p-tolylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-methylanilino)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-methylphenyl)carbamoyl]-5-(piperazine-1-carbonyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-(piperazine-1-carbonyl)-1-(p-tolylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2C(CC(C2C3=CC=CS3)C(=O)OC)C(=O)N4CCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2C(CC(C2C3=CC=CS3)C(=O)OC)C(=O)N4CCNCC4

InChI

InChI=1S/C23H28N4O4S/c1-15-5-7-16(8-6-15)25-23(30)27-18(21(28)26-11-9-24-10-12-26)14-17(22(29)31-2)20(27)19-4-3-13-32-19/h3-8,13,17-18,20,24H,9-12,14H2,1-2H3,(H,25,30)