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

Systemtic Name: 2-[(2R)-4-(carboxymethyl)-6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-4-(carboxymethyl)-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2R)-4-(carboxymethyl)-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2R)-4-(carboxymethyl)-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2R)-4-(carboxymethyl)-6-esyl-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C14H15NO8S MolecularWeight: 357.3358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO8S/c1-2-24(21,22)8-3-4-10-9(5-8)15(7-13(18)19)14(20)11(23-10)6-12(16)17/h3-5,11H,2,6-7H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1