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

Systemtic Name: (phenylmethyl) 3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-propanoate Openeye Name: benzyl 3-(1,3-benzothiazol-2-yl)-2-oxo-propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-keto-propionic acid benzyl ester Formula: C17H13NO3S MolecularWeight: 311.35502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO3S/c19-14(17(20)21-11-12-6-2-1-3-7-12)10-16-18-13-8-4-5-9-15(13)22-16/h1-9H,10-11H2