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

Systemtic Name: 4-[4-(cyclohexylmethylcarbamoyl)-5-methyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(cyclohexylmethylcarbamoyl)-5-methyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[(cyclohexylmethylamino)-oxomethyl]-5-methyl-1-(2-oxolanylmethyl)-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(cyclohexylmethylcarbamoyl)-5-methyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(cyclohexylmethylcarbamoyl)-5-methyl-1-(tetrahydrofurfuryl)pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)C(=O)O)C(=O)NCC4CCCCC4

Isomeric SMILES

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)C(=O)O)C(=O)NCC4CCCCC4

InChI

InChI=1S/C22H29N3O4S/c1-14-17(20(26)23-11-15-6-3-2-4-7-15)10-19(18-13-30-21(24-18)22(27)28)25(14)12-16-8-5-9-29-16/h10,13,15-16H,2-9,11-12H2,1H3,(H,23,26)(H,27,28)