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

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)ethanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(p-tolyl)acetic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(4-methylphenyl)acetic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)acetic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(p-tolyl)acetic acid Formula: C16H12ClNO2S2 MolecularWeight: 349.85498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO2S2/c1-9-2-4-10(5-3-9)14(15(19)20)22-16-18-12-8-11(17)6-7-13(12)21-16/h2-8,14H,1H3,(H,19,20)