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

Systemtic Name: 3-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-[3-[2-(2-thienyl)ethynyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[3-[2-(2-thienyl)ethynyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C21H14N2O2S2 MolecularWeight: 390.47806

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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=CS4

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C21H14N2O2S2/c24-20-13-27-19-9-7-15(12-18(19)23-20)21(25)22-16-4-1-3-14(11-16)6-8-17-5-2-10-26-17/h1-5,7,9-12H,13H2,(H,22,25)(H,23,24)