2-[(2R)-6-ethylsulfonyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2R)-6-ethylsulfonyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-6-ethylsulfonyl-4-(2-methylallyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2R)-6-ethylsulfonyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2R)-6-ethylsulfonyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2R)-6-esyl-3-keto-4-(2-methylallyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=C)C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6S/c1-4-24(21,22)11-5-6-13-12(7-11)17(9-10(2)3)16(20)14(23-13)8-15(18)19/h5-7,14H,2,4,8-9H2,1,3H3,(H,18,19)/t14-/m1/s1