(4-cyanophenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: (4-cyanophenyl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid (4-cyanobenzyl) ester Formula: C18H14N2O3S MolecularWeight: 338.38036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N2O3S/c19-10-12-5-7-13(8-6-12)11-23-17(21)9-16-18(22)20-14-3-1-2-4-15(14)24-16/h1-8,16H,9,11H2,(H,20,22)