2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)ethanoic acid

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)ethanoic acid Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-(p-tolyl)acetic acid CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(4-methylphenyl)acetic acid IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-methylphenyl)acetic acid Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(p-tolyl)acetic acid Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C18H17NO3S2/c1-3-22-13-8-9-14-15(10-13)23-18(19-14)24-16(17(20)21)12-6-4-11(2)5-7-12/h4-10,16H,3H2,1-2H3,(H,20,21)