3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-[(4-nitrophenyl)methoxy]chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-[(4-nitrophenyl)methoxy]chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-[(4-nitrophenyl)methoxy]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-[(4-nitrophenyl)methoxy]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-[(4-nitrophenyl)methoxy]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-(4-nitrobenzyl)oxy-chromone Formula: C26H20N2O5S MolecularWeight: 472.5124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O5S/c1-3-17-12-19-22(13-21(17)32-14-16-8-10-18(11-9-16)28(30)31)33-15(2)24(25(19)29)26-27-20-6-4-5-7-23(20)34-26/h4-13H,3,14H2,1-2H3