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

Systemtic Name: 2-[2-(4-cyanobutylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(4-cyanobutylsulfanyl)-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(4-cyanobutylthio)-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(4-cyanobutylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(4-cyanobutylthio)-4-methyl-thiazol-5-yl]acetic acid Formula: C11H14N2O2S2 MolecularWeight: 270.37106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCCCCC#N)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCCCCC#N)CC(=O)O

InChI

InChI=1S/C11H14N2O2S2/c1-8-9(7-10(14)15)17-11(13-8)16-6-4-2-3-5-12/h2-4,6-7H2,1H3,(H,14,15)