2-[3,5-bis(bromanyl)-4-[2-(3-oxidanylidenethieno[3,2-b][1,4]oxazin-4-yl)ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-[2-(3-oxidanylidenethieno[3,2-b][1,4]oxazin-4-yl)ethoxy]phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-[2-(3-oxothieno[3,2-b][1,4]oxazin-4-yl)ethoxy]phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-[2-(3-oxo-4-thieno[3,2-b][1,4]oxazinyl)ethoxy]phenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-[2-(3-oxothieno[3,2-b][1,4]oxazin-4-yl)ethoxy]phenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-[2-(3-ketothieno[3,2-b][1,4]oxazin-4-yl)ethoxy]phenyl]acetic acid Formula: C16H13Br2NO5S MolecularWeight: 491.15112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CS2)CCOC3=C(C=C(C=C3Br)CC(=O)O)Br

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CS2)CCOC3=C(C=C(C=C3Br)CC(=O)O)Br

InChI

InChI=1S/C16H13Br2NO5S/c17-10-5-9(7-14(21)22)6-11(18)15(10)23-3-2-19-13(20)8-24-12-1-4-25-16(12)19/h1,4-6H,2-3,7-8H2,(H,21,22)