ethyl 5-[[cyclohexyl(thiophen-2-ylcarbonyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[cyclohexyl(thiophen-2-ylcarbonyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[cyclohexyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[cyclohexyl(2-thenoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(C2CCCCC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(C2CCCCC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H28N2O3S/c1-4-26-21(25)19-14(2)17(22-15(19)3)13-23(16-9-6-5-7-10-16)20(24)18-11-8-12-27-18/h8,11-12,16,22H,4-7,9-10,13H2,1-3H3