2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)propanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)propanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(p-tolyl)propanoic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(4-methylphenyl)propanoic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)propanoic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(p-tolyl)propionic acid Formula: C17H14ClNO2S2 MolecularWeight: 363.88156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(C(=O)O)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(C(=O)O)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H14ClNO2S2/c1-10-3-5-11(6-4-10)17(2,15(20)21)23-16-19-13-9-12(18)7-8-14(13)22-16/h3-9H,1-2H3,(H,20,21)