(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C22H23NO3S/c1-13-11-14(2)22(16(4)24)15(3)17(13)12-26-21(25)10-9-20-23-18-7-5-6-8-19(18)27-20/h5-8,11H,9-10,12H2,1-4H3