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

Systemtic Name: 4-[4-(2-ethylhexylcarbamoyl)-5-methyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(2-ethylhexylcarbamoyl)-5-methyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[(2-ethylhexylamino)-oxomethyl]-5-methyl-1-(2-oxolanylmethyl)-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(2-ethylhexylcarbamoyl)-5-methyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)-5-methyl-1-(tetrahydrofurfuryl)pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C23H33N3O4S MolecularWeight: 447.59082

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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)CC3CCCO3)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)O)CC3CCCO3)C

InChI

InChI=1S/C23H33N3O4S/c1-4-6-8-16(5-2)12-24-21(27)18-11-20(19-14-31-22(25-19)23(28)29)26(15(18)3)13-17-9-7-10-30-17/h11,14,16-17H,4-10,12-13H2,1-3H3,(H,24,27)(H,28,29)