2-[(2R)-6-ethylsulfonyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2R)-6-ethylsulfonyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2R)-6-ethylsulfonyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-6-ethylsulfonyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2R)-6-ethylsulfonyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-6-esyl-4-(3-hydroxypropyl)-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C15H18NO7S- MolecularWeight: 356.37092

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCCO)CC(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCCO)CC(=O)[O-]

InChI

InChI=1S/C15H19NO7S/c1-2-24(21,22)10-4-5-12-11(8-10)16(6-3-7-17)15(20)13(23-12)9-14(18)19/h4-5,8,13,17H,2-3,6-7,9H2,1H3,(H,18,19)/p-1/t13-/m1/s1