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

Systemtic Name: 2-[3-oxidanylidene-6-[[2-(phenylmethylsulfanyl)phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(2-benzylsulfanylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[3-oxo-6-[[2-(phenylmethylthio)phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[(2-benzylsulfanylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-[[2-(benzylthio)phenyl]sulfamoyl]-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C23H20N2O6S2 MolecularWeight: 484.5447

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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=C3SCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3SCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C23H20N2O6S2/c26-22-14-31-20-11-10-17(12-19(20)25(22)13-23(27)28)33(29,30)24-18-8-4-5-9-21(18)32-15-16-6-2-1-3-7-16/h1-12,24H,13-15H2,(H,27,28)