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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3

InChI

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