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

Systemtic Name: 2-[(2R)-6-ethylsulfonyl-4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-6-ethylsulfonyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2R)-6-ethylsulfonyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2R)-6-ethylsulfonyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2R)-6-esyl-3-keto-4-(methoxymethyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2COC)CC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2COC)CC(=O)O

InChI

InChI=1S/C14H17NO7S/c1-3-23(19,20)9-4-5-11-10(6-9)15(8-21-2)14(18)12(22-11)7-13(16)17/h4-6,12H,3,7-8H2,1-2H3,(H,16,17)/t12-/m1/s1