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

Systemtic Name: ethyl 4-[1-butyl-4-(cyclohexylmethylcarbamoyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-butyl-4-(cyclohexylmethylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-butyl-4-[(cyclohexylmethylamino)-oxomethyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-butyl-4-(cyclohexylmethylcarbamoyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-butyl-4-(cyclohexylmethylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCC3CCCCC3)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCC3CCCCC3)C

InChI

InChI=1S/C23H33N3O3S/c1-4-6-12-26-16(3)18(21(27)24-14-17-10-8-7-9-11-17)13-20(26)19-15-30-22(25-19)23(28)29-5-2/h13,15,17H,4-12,14H2,1-3H3,(H,24,27)