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

Systemtic Name: 4-[(6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 4-[(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 4-[(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 4-[(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 4-[(6-esyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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