3-[(6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate

Systemtic Name: 3-[(6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate Openeye Name: 3-[(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate CAS Name: 3-[(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate IUPAC Name: 3-[(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate Traditional Name: 3-[(6-esyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoate Formula: C18H16NO6S- MolecularWeight: 374.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H17NO6S/c1-2-26(23,24)14-6-7-16-15(9-14)19(17(20)11-25-16)10-12-4-3-5-13(8-12)18(21)22/h3-9H,2,10-11H2,1H3,(H,21,22)/p-1