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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-methylphenyl)ethanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(p-tolyl)acetic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-(4-methylphenyl)acetic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-methylphenyl)acetic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(p-tolyl)acetic acid Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO2S2/c1-10-6-8-11(9-7-10)14(15(18)19)21-16-17-12-4-2-3-5-13(12)20-16/h2-9,14H,1H3,(H,18,19)