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

Systemtic Name: 2-[(2R)-6-ethylsulfonyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2R)-4-allyl-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-6-ethylsulfonyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2R)-6-ethylsulfonyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-4-allyl-6-esyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C15H16NO6S- MolecularWeight: 338.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC=C)CC(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC=C)CC(=O)[O-]

InChI

InChI=1S/C15H17NO6S/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/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,17,18)/p-1/t13-/m1/s1