2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)ethanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)ethanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)acetic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-(2,3-dimethylphenyl)acetic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,3-dimethylphenyl)acetic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(2,3-dimethylphenyl)acetic acid Formula: C17H15NO2S2 MolecularWeight: 329.4365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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