(3-methylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (3-methylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: m-tolyl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid m-tolyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)CCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)CCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C17H15NO3S/c1-12-5-4-6-13(11-12)21-16(19)9-10-18-14-7-2-3-8-15(14)22-17(18)20/h2-8,11H,9-10H2,1H3