ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-bromophenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-bromophenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-bromobenzoyl)oxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-[(4-bromophenyl)-oxomethoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-bromobenzoyl)oxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(4-bromobenzoyl)oxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C26H16BrNO6S MolecularWeight: 550.37734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H16BrNO6S/c1-2-32-26(31)23-21(24-28-18-5-3-4-6-20(18)35-24)22(29)17-12-11-16(13-19(17)34-23)33-25(30)14-7-9-15(27)10-8-14/h3-13H,2H2,1H3