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

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

Systemtic Name:3-[1,3-benzothiazol-2-yl-(2,6-dimethylphenyl)amino]propanoic acid
Openeye Name:3-[N-(1,3-benzothiazol-2-yl)-2,6-dimethyl-anilino]propanoic acid
CAS Name:3-[N-(1,3-benzothiazol-2-yl)-2,6-dimethylanilino]propanoic acid
IUPAC Name:3-[N-(1,3-benzothiazol-2-yl)-2,6-dimethylanilino]propanoic acid
Traditional Name:3-[N-(1,3-benzothiazol-2-yl)-2,6-dimethyl-anilino]propionic acid
Formula: C18H18N2O2S
MolecularWeight: 326.41272
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCC(=O)O)C2=NC3=CC=CC=C3S2


Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCC(=O)O)C2=NC3=CC=CC=C3S2


InChI

InChI=1S/C18H18N2O2S/c1-12-6-5-7-13(2)17(12)20(11-10-16(21)22)18-19-14-8-3-4-9-15(14)23-18/h3-9H,10-11H2,1-2H3,(H,21,22)


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