methyl 3-[2-[3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H18N2O4S MolecularWeight: 442.48642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C25H18N2O4S/c1-31-25(30)19-6-2-4-16(12-19)8-9-17-5-3-7-20(13-17)26-24(29)18-10-11-22-21(14-18)27-23(28)15-32-22/h2-7,10-14H,15H2,1H3,(H,26,29)(H,27,28)