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

Systemtic Name: 4-[4-(2-ethylhexylcarbamoyl)-5-methyl-1-(2-methylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(2-ethylhexylcarbamoyl)-1-isobutyl-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[(2-ethylhexylamino)-oxomethyl]-5-methyl-1-(2-methylpropyl)-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(2-ethylhexylcarbamoyl)-5-methyl-1-(2-methylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)-1-isobutyl-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)CC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3S/c1-6-8-9-16(7-2)11-23-20(26)17-10-19(25(15(17)5)12-14(3)4)18-13-29-21(24-18)22(27)28/h10,13-14,16H,6-9,11-12H2,1-5H3,(H,23,26)(H,27,28)