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

Systemtic Name: 2-[2-[(3-cyanophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(3-cyanophenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(3-cyanophenyl)methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(3-cyanophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(3-cyanobenzyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C14H12N2O2S2 MolecularWeight: 304.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC=CC(=C2)C#N)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC=CC(=C2)C#N)CC(=O)O

InChI

InChI=1S/C14H12N2O2S2/c1-9-12(6-13(17)18)20-14(16-9)19-8-11-4-2-3-10(5-11)7-15/h2-5H,6,8H2,1H3,(H,17,18)