2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)ethanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)ethanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)acetic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(2,3-dimethylphenyl)acetic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)acetic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(2,3-dimethylphenyl)acetic acid Formula: C17H14ClNO2S2 MolecularWeight: 363.88156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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