(2,4-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (2,4-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2,4-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2,4-dimethylphenyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H17NO2S/c1-12-7-8-15(13(2)11-12)21-18(20)10-9-17-19-14-5-3-4-6-16(14)22-17/h3-8,11H,9-10H2,1-2H3