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

Systemtic Name: 4-[1-butyl-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[1-butyl-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[1-butyl-4-[(2-ethylhexylamino)-oxomethyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[1-butyl-4-(2-ethylhexylcarbamoyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[1-butyl-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C22H33N3O3S MolecularWeight: 419.58072

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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)CCCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3S/c1-5-8-10-16(7-3)13-23-20(26)17-12-19(25(15(17)4)11-9-6-2)18-14-29-21(24-18)22(27)28/h12,14,16H,5-11,13H2,1-4H3,(H,23,26)(H,27,28)