[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-3-15-8-10-16(11-9-15)22-19(24)14(2)27-21(26)17-6-4-12-23(17)20(25)18-7-5-13-28-18/h5,7-11,13-14,17H,3-4,6,12H2,1-2H3,(H,22,24)