[2-bromanyl-4-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-oxidanylidene-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-oxidanylidene-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-oxo-thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-oxo-5-thiazolo[3,2-b][1,2,4]triazolylidene]methyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-keto-thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxy-phenyl] ester Formula: C22H16BrN3O6S MolecularWeight: 530.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)/C=C\2/C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC

InChI

InChI=1S/C22H16BrN3O6S/c1-11(27)31-19-13(23)7-12(8-16(19)29-2)9-18-21(28)26-22(33-18)24-20(25-26)17-10-30-14-5-3-4-6-15(14)32-17/h3-9,17H,10H2,1-2H3/b18-9-