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

Systemtic Name: 2-[(2S)-6-ethylsulfonyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-ethylsulfonyl-3-oxo-4-propyl-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-ethylsulfonyl-3-oxo-4-propyl-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-ethylsulfonyl-3-oxo-4-propyl-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-esyl-3-keto-4-propyl-1,4-benzoxazin-2-yl]acetate Formula: C15H18NO6S- MolecularWeight: 340.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)S(=O)(=O)CC)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)S(=O)(=O)CC)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C15H19NO6S/c1-3-7-16-11-8-10(23(20,21)4-2)5-6-12(11)22-13(15(16)19)9-14(17)18/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,17,18)/p-1/t13-/m0/s1