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

Systemtic Name: 2-[6-[(3-ethynylphenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(3-ethynylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[(3-ethynylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[(3-ethynylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-[(3-ethynylphenyl)sulfamoyl]-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O

InChI

InChI=1S/C18H14N2O6S/c1-2-12-4-3-5-13(8-12)19-27(24,25)14-6-7-16-15(9-14)20(10-18(22)23)17(21)11-26-16/h1,3-9,19H,10-11H2,(H,22,23)