2-[2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)thiazol-4-yl]acetic acid Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C3=NC(=CS3)CC(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C3=NC(=CS3)CC(=O)O)Br)OC1

InChI

InChI=1S/C14H12BrNO4S/c15-10-4-8(5-11-13(10)20-3-1-2-19-11)14-16-9(7-21-14)6-12(17)18/h4-5,7H,1-3,6H2,(H,17,18)