[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-3-15(2)16-8-10-17(11-9-16)23-20(25)14-28-22(27)18-6-4-12-24(18)21(26)19-7-5-13-29-19/h5,7-11,13,15,18H,3-4,6,12,14H2,1-2H3,(H,23,25)