(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCC2=NC3=CC=CC=C3S2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCC2=NC3=CC=CC=C3S2)C)C(C)(C)C

InChI

InChI=1S/C23H27NO2S/c1-15-12-17(23(3,4)5)13-16(2)18(15)14-26-22(25)11-10-21-24-19-8-6-7-9-20(19)27-21/h6-9,12-13H,10-11,14H2,1-5H3