2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-(2,3-dimethylphenyl)propanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)propanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(2,3-dimethylphenyl)propionic acid Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C(=O)O)SC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C(=O)O)SC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H17NO2S2/c1-11-7-6-8-13(12(11)2)18(3,16(20)21)23-17-19-14-9-4-5-10-15(14)22-17/h4-10H,1-3H3,(H,20,21)