[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO3S/c1-14(2)15-7-9-16(10-8-15)18(23)13-25-21(24)12-11-20-22-17-5-3-4-6-19(17)26-20/h3-10,14H,11-13H2,1-2H3