[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 4-bromanylbenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-ylchromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C26H18BrNO4S MolecularWeight: 520.39442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

CC(C)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/C26H18BrNO4S/c1-14(2)24-22(25-28-19-5-3-4-6-21(19)33-25)23(29)18-12-11-17(13-20(18)32-24)31-26(30)15-7-9-16(27)10-8-15/h3-14H,1-2H3