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

Systemtic Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[(cyclohexylmethylamino)-oxomethyl]-1-(3-methoxypropyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCOC)C2=CSC(=N2)C(=O)O)C(=O)NCC3CCCCC3

Isomeric SMILES

CC1=C(C=C(N1CCCOC)C2=CSC(=N2)C(=O)O)C(=O)NCC3CCCCC3

InChI

InChI=1S/C21H29N3O4S/c1-14-16(19(25)22-12-15-7-4-3-5-8-15)11-18(24(14)9-6-10-28-2)17-13-29-20(23-17)21(26)27/h11,13,15H,3-10,12H2,1-2H3,(H,22,25)(H,26,27)