(4-cyanophenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (4-cyanobenzyl) ester Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16N2O3S/c20-11-14-5-7-15(8-6-14)12-24-19(23)9-10-21-16-3-1-2-4-17(16)25-13-18(21)22/h1-8H,9-10,12-13H2