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

Systemtic Name: 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[1-(cyclohexylmethyl)-4-[(2-ethylhexylamino)-oxomethyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)O)CC3CCCCC3)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)O)CC3CCCCC3)C

InChI

InChI=1S/C25H37N3O3S/c1-4-6-10-18(5-2)14-26-23(29)20-13-22(21-16-32-24(27-21)25(30)31)28(17(20)3)15-19-11-8-7-9-12-19/h13,16,18-19H,4-12,14-15H2,1-3H3,(H,26,29)(H,30,31)