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

Systemtic Name: 4-[5-methyl-1-(2-methylpropyl)-4-(oxolan-2-ylmethylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[1-isobutyl-5-methyl-4-(tetrahydrofuran-2-ylmethylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[5-methyl-1-(2-methylpropyl)-4-[oxo-(2-oxolanylmethylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[5-methyl-1-(2-methylpropyl)-4-(oxolan-2-ylmethylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[1-isobutyl-5-methyl-4-(tetrahydrofurfurylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C(=O)O)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C(=O)O)C(=O)NCC3CCCO3

InChI

InChI=1S/C19H25N3O4S/c1-11(2)9-22-12(3)14(17(23)20-8-13-5-4-6-26-13)7-16(22)15-10-27-18(21-15)19(24)25/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,20,23)(H,24,25)