2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-methylphenyl)propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-methylphenyl)propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(p-tolyl)propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-(4-methylphenyl)propanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-methylphenyl)propanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(p-tolyl)propionic acid Formula: C17H15NO2S2 MolecularWeight: 329.4365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2S2/c1-11-7-9-12(10-8-11)17(2,15(19)20)22-16-18-13-5-3-4-6-14(13)21-16/h3-10H,1-2H3,(H,19,20)