5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-2-methyl-1-(tetrahydrofuran-2-ylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[2-[(4-tert-butylphenoxy)methyl]-4-thiazolyl]-2-methyl-1-(2-oxolanylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-2-methyl-1-(tetrahydrofurfuryl)pyrrole-3-carboxylic acid Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)COC4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)COC4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C25H30N2O4S/c1-16-20(24(28)29)12-22(27(16)13-19-6-5-11-30-19)21-15-32-23(26-21)14-31-18-9-7-17(8-10-18)25(2,3)4/h7-10,12,15,19H,5-6,11,13-14H2,1-4H3,(H,28,29)