ethyl 8-(1,3-benzothiazol-2-yl)-5-bromanyl-7-oxidanylidene-2-phenyl-furo[3,2-f]chromene-1-carboxylate

Systemtic Name: ethyl 8-(1,3-benzothiazol-2-yl)-5-bromanyl-7-oxidanylidene-2-phenyl-furo[3,2-f]chromene-1-carboxylate Openeye Name: ethyl 8-(1,3-benzothiazol-2-yl)-5-bromo-7-oxo-2-phenyl-furo[3,2-f]chromene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-5-bromo-7-oxo-2-phenyl-1-furo[3,2-f][1]benzopyrancarboxylic acid ethyl ester IUPAC Name: ethyl 8-(1,3-benzothiazol-2-yl)-5-bromo-7-oxo-2-phenylfuro[3,2-f]chromene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)-5-bromo-7-keto-2-phenyl-furo[3,2-f]chromene-1-carboxylic acid ethyl ester Formula: C27H16BrNO5S MolecularWeight: 546.38864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C3C(=C21)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)Br)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C3C(=C21)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)Br)C6=CC=CC=C6

InChI

InChI=1S/C27H16BrNO5S/c1-2-32-27(31)22-21-15-12-16(25-29-18-10-6-7-11-20(18)35-25)26(30)34-24(15)17(28)13-19(21)33-23(22)14-8-4-3-5-9-14/h3-13H,2H2,1H3