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

Systemtic Name: 4-[5-methyl-4-(2-methylpropylcarbamoyl)-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(isobutylcarbamoyl)-5-methyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[5-methyl-4-[(2-methylpropylamino)-oxomethyl]-1-(2-oxolanylmethyl)-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[5-methyl-4-(2-methylpropylcarbamoyl)-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(isobutylcarbamoyl)-5-methyl-1-(tetrahydrofurfuryl)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(N1CC2CCCO2)C3=CSC(=N3)C(=O)O)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)C(=O)O)C(=O)NCC(C)C

InChI

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