ethyl 4-[4-(butan-2-ylcarbamoyl)-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-(butan-2-ylcarbamoyl)-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-(cyclohexylmethyl)-5-methyl-4-(sec-butylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(butan-2-ylamino)-oxomethyl]-1-(cyclohexylmethyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(butan-2-ylcarbamoyl)-1-(cyclohexylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-(cyclohexylmethyl)-5-methyl-4-(sec-butylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3CCCCC3)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3CCCCC3)C

InChI

InChI=1S/C23H33N3O3S/c1-5-15(3)24-21(27)18-12-20(19-14-30-22(25-19)23(28)29-6-2)26(16(18)4)13-17-10-8-7-9-11-17/h12,14-15,17H,5-11,13H2,1-4H3,(H,24,27)