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

Systemtic Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[(cyclohexylmethylamino)-oxomethyl]-1-(2-methoxyethyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCOC)C2=CSC(=N2)C(=O)O)C(=O)NCC3CCCCC3

Isomeric SMILES

CC1=C(C=C(N1CCOC)C2=CSC(=N2)C(=O)O)C(=O)NCC3CCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-13-15(18(24)21-11-14-6-4-3-5-7-14)10-17(23(13)8-9-27-2)16-12-28-19(22-16)20(25)26/h10,12,14H,3-9,11H2,1-2H3,(H,21,24)(H,25,26)