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

Systemtic Name: 2-[(2S)-4-butyl-6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-butyl-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-butyl-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-butyl-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-butyl-6-esyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C16H20NO6S- MolecularWeight: 354.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)CC)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)CC)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C16H21NO6S/c1-3-5-8-17-12-9-11(24(21,22)4-2)6-7-13(12)23-14(16(17)20)10-15(18)19/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,18,19)/p-1/t14-/m0/s1