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

Systemtic Name: ethyl 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(cyclohexylmethylamino)-oxomethyl]-1-(2-methoxyethyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CCOC)C)C(=O)NCC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CCOC)C)C(=O)NCC3CCCCC3

InChI

InChI=1S/C22H31N3O4S/c1-4-29-22(27)21-24-18(14-30-21)19-12-17(15(2)25(19)10-11-28-3)20(26)23-13-16-8-6-5-7-9-16/h12,14,16H,4-11,13H2,1-3H3,(H,23,26)