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

Systemtic Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-(2,3-dimethylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S2/c1-5-24-14-9-10-16-17(11-14)25-19(21-16)26-20(4,18(22)23)15-8-6-7-12(2)13(15)3/h6-11H,5H2,1-4H3,(H,22,23)