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

Systemtic Name: (3-cyanophenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: (3-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 (3-cyanophenyl)methyl ester IUPAC Name: (3-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 (3-cyanobenzyl) ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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