3-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C22H15N3O2S/c26-21-14-28-20-10-8-16(13-19(20)25-21)22(27)24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-23-17/h1-6,8,10-13H,14H2,(H,24,27)(H,25,26)