ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(2-methylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(2-methylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(butylcarbamoyl)-1-isobutyl-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[butylamino(oxo)methyl]-5-methyl-1-(2-methylpropyl)-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(2-methylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(butylcarbamoyl)-1-isobutyl-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC(C)C)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC(C)C)C

InChI

InChI=1S/C20H29N3O3S/c1-6-8-9-21-18(24)15-10-17(23(14(15)5)11-13(3)4)16-12-27-19(22-16)20(25)26-7-2/h10,12-13H,6-9,11H2,1-5H3,(H,21,24)