2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(4-tert-butylbenzyl)-piperonyl-amino]methyl]thiazole-4-carboxylic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-24(2,3)18-7-4-16(5-8-18)11-26(13-22-25-19(14-31-22)23(27)28)12-17-6-9-20-21(10-17)30-15-29-20/h4-10,14H,11-13,15H2,1-3H3,(H,27,28)