O5-ethyl O3-methyl (4R,5R)-2-oxidanidyl-4-thiophen-2-yl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl (4R,5R)-2-oxidanidyl-4-thiophen-2-yl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl (4R,5R)-2-oxido-4-(2-thienyl)-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: (4R,5R)-2-oxido-4-thiophen-2-yl-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl (4R,5R)-2-oxido-4-thiophen-2-yl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: (4R,5R)-2-oxido-4-(2-thienyl)-2-isoxazolin-2-ium-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=[N+](O1)[O-])C(=O)OC)C2=CC=CS2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=[N+](O1)[O-])C(=O)OC)C2=CC=CS2

InChI

InChI=1S/C12H13NO6S/c1-3-18-12(15)10-8(7-5-4-6-20-7)9(11(14)17-2)13(16)19-10/h4-6,8,10H,3H2,1-2H3/t8-,10-/m1/s1