(phenylmethyl) 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: benzyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetic acid benzyl ester Formula: C16H12ClNO3S MolecularWeight: 333.78938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C3=C(C=CC=C3Cl)SC2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C3=C(C=CC=C3Cl)SC2=O

InChI

InChI=1S/C16H12ClNO3S/c17-12-7-4-8-13-15(12)18(16(20)22-13)9-14(19)21-10-11-5-2-1-3-6-11/h1-8H,9-10H2