(3-cyanophenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (3-cyanophenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (3-cyanobenzyl) ester Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12N2O3S/c18-8-11-2-1-3-12(6-11)9-22-17(21)13-4-5-15-14(7-13)19-16(20)10-23-15/h1-7H,9-10H2,(H,19,20)