2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-ethynylphenyl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-ethynylphenyl)ethanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethynylphenyl)acetamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethynylphenyl)acetamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethynylphenyl)acetamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-ethynylphenyl)acetamide Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H13N3O3S/c1-2-12-6-5-7-13(10-12)19-16(21)11-18-17-14-8-3-4-9-15(14)24(22,23)20-17/h1,3-10H,11H2,(H,18,20)(H,19,21)