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

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(1,3-benzodioxol-5-yl)-4-thiazolyl]-1-(cyclohexylmethyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(1,3-benzodioxol-5-yl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-14-17(23(26)27)10-19(25(14)11-15-5-3-2-4-6-15)18-12-30-22(24-18)16-7-8-20-21(9-16)29-13-28-20/h7-10,12,15H,2-6,11,13H2,1H3,(H,26,27)