(2S,4R)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-ethanoyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: (2S,4R)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-ethanoyl-1,3-thiazolidine-4-carboxylate Openeye Name: (2S,4R)-3-acetyl-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)thiazolidine-4-carboxylate CAS Name: (2S,4R)-3-acetyl-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-thiazolidinecarboxylate IUPAC Name: (2S,4R)-3-acetyl-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4R)-3-acetyl-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)thiazolidine-4-carboxylate Formula: C13H13BrNO5S- MolecularWeight: 375.21502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CSC1C2=CC(=C(C(=C2)Br)O)OC)C(=O)[O-]

Isomeric SMILES

CC(=O)N1[C@@H](CS[C@H]1C2=CC(=C(C(=C2)Br)O)OC)C(=O)[O-]

InChI

InChI=1S/C13H14BrNO5S/c1-6(16)15-9(13(18)19)5-21-12(15)7-3-8(14)11(17)10(4-7)20-2/h3-4,9,12,17H,5H2,1-2H3,(H,18,19)/p-1/t9-,12-/m0/s1