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

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(1H-benzimidazol-2-ylmethylthio)-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(1H-benzimidazol-2-ylmethylthio)-4-methyl-thiazol-5-yl]acetic acid Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=NC3=CC=CC=C3N2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=NC3=CC=CC=C3N2)CC(=O)O

InChI

InChI=1S/C14H13N3O2S2/c1-8-11(6-13(18)19)21-14(15-8)20-7-12-16-9-4-2-3-5-10(9)17-12/h2-5H,6-7H2,1H3,(H,16,17)(H,18,19)