(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H16BrNO4S/c22-14-8-9-15-13(10-21(25)27-17(15)11-14)12-26-20(24)7-3-6-19-23-16-4-1-2-5-18(16)28-19/h1-2,4-5,8-11H,3,6-7,12H2