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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[p-anisyl(piperonyl)amino]methyl]thiazole-4-carboxylic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c1-26-16-5-2-14(3-6-16)9-23(11-20-22-17(12-29-20)21(24)25)10-15-4-7-18-19(8-15)28-13-27-18/h2-8,12H,9-11,13H2,1H3,(H,24,25)