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

Systemtic Name: 4-[4-(2-ethylhexylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(2-ethylhexylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[(2-ethylhexylamino)-oxomethyl]-1-(3-methoxypropyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(2-ethylhexylcarbamoyl)-1-(3-methoxypropyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C22H33N3O4S MolecularWeight: 435.58012

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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)CCCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-5-7-9-16(6-2)13-23-20(26)17-12-19(18-14-30-21(24-18)22(27)28)25(15(17)3)10-8-11-29-4/h12,14,16H,5-11,13H2,1-4H3,(H,23,26)(H,27,28)