(4-methanoylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (4-methanoylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: (4-formylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (4-formylphenyl) ester IUPAC Name: (4-formylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid (4-formylphenyl) ester Formula: C17H13NO4S MolecularWeight: 327.35442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)OC3=CC=C(C=C3)C=O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)OC3=CC=C(C=C3)C=O

InChI

InChI=1S/C17H13NO4S/c19-11-12-5-7-13(8-6-12)22-16(20)9-10-18-14-3-1-2-4-15(14)23-17(18)21/h1-8,11H,9-10H2