ethyl 2-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-6-bromanyl-4-oxidanylidene-chromene-8-carboxylate

Systemtic Name: ethyl 2-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-6-bromanyl-4-oxidanylidene-chromene-8-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-6-bromo-4-oxo-chromene-8-carboxylate CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-6-bromo-4-oxo-1-benzopyran-8-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-6-bromo-4-oxochromene-8-carboxylate Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-6-bromo-4-keto-chromene-8-carboxylic acid ethyl ester Formula: C26H18BrNO5S MolecularWeight: 536.39382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=C1)Br)C(=O)C=C(O2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=C1)Br)C(=O)C=C(O2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18BrNO5S/c1-2-31-26(30)19-12-16(27)11-18-21(29)13-22(33-25(18)19)15-6-5-7-17(10-15)32-14-24-28-20-8-3-4-9-23(20)34-24/h3-13H,2,14H2,1H3