[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C18H15NO3S MolecularWeight: 325.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C18H15NO3S/c1-11-3-5-13(6-4-11)17(20)12(2)22-18(21)14-7-8-15-16(9-14)23-10-19-15/h3-10,12H,1-2H3