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

Systemtic Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetic acid IUPAC Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetic acid Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC(=C3C)C)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC(=C3C)C)C(=O)O

InChI

InChI=1S/C19H19NO3S2/c1-4-23-13-8-9-15-16(10-13)24-19(20-15)25-17(18(21)22)14-7-5-6-11(2)12(14)3/h5-10,17H,4H2,1-3H3,(H,21,22)