1-(cyclohexylmethyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-[2-(2,3-dihydrobenzofuran-5-yl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-[2-(2,3-dihydrobenzofuran-5-yl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-(2-coumaran-5-ylthiazol-4-yl)-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC5=C(C=C4)OCC5)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC5=C(C=C4)OCC5)C(=O)O

InChI

InChI=1S/C24H26N2O3S/c1-15-19(24(27)28)12-21(26(15)13-16-5-3-2-4-6-16)20-14-30-23(25-20)18-7-8-22-17(11-18)9-10-29-22/h7-8,11-12,14,16H,2-6,9-10,13H2,1H3,(H,27,28)