2-[3-oxidanylidene-6-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-6-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[3-oxo-6-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[3-oxo-6-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-6-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[3-keto-6-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid Formula: C22H16N2O6S2 MolecularWeight: 468.50224

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)CC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)CC(=O)O

InChI

InChI=1S/C22H16N2O6S2/c25-21-14-30-20-9-8-18(12-19(20)24(21)13-22(26)27)32(28,29)23-16-4-1-3-15(11-16)6-7-17-5-2-10-31-17/h1-5,8-12,23H,13-14H2,(H,26,27)