ethyl 1,3,5-trimethyl-4-[2-[3-methylbutyl(thiophen-2-ylcarbonyl)amino]ethanoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutyl(thiophen-2-ylcarbonyl)amino]ethanoyl]pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[isopentyl(thiophene-2-carbonyl)amino]acetyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[2-[3-methylbutyl-[oxo(thiophen-2-yl)methyl]amino]-1-oxoethyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutyl(thiophene-2-carbonyl)amino]acetyl]pyrrole-2-carboxylate Traditional Name: 4-[2-[isoamyl(2-thenoyl)amino]acetyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)CN(CCC(C)C)C(=O)C2=CC=CS2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)CN(CCC(C)C)C(=O)C2=CC=CS2)C

InChI

InChI=1S/C22H30N2O4S/c1-7-28-22(27)20-15(4)19(16(5)23(20)6)17(25)13-24(11-10-14(2)3)21(26)18-9-8-12-29-18/h8-9,12,14H,7,10-11,13H2,1-6H3