2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylthio)-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-(piperonylthio)thiazol-5-yl]acetic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC3=C(C=C2)OCO3)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC3=C(C=C2)OCO3)CC(=O)O

InChI

InChI=1S/C14H13NO4S2/c1-8-12(5-13(16)17)21-14(15-8)20-6-9-2-3-10-11(4-9)19-7-18-10/h2-4H,5-7H2,1H3,(H,16,17)