3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one

Systemtic Name: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one Openeye Name: 3-[4-(4-bromophenyl)thiazol-2-yl]-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one CAS Name: 3-[4-(4-bromophenyl)-2-thiazolyl]-7-[(2,5-dimethylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one Traditional Name: 3-[4-(4-bromophenyl)thiazol-2-yl]-7-(2,5-dimethylbenzyl)oxy-coumarin Formula: C27H20BrNO3S MolecularWeight: 518.4216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC(=CS4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC(=CS4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H20BrNO3S/c1-16-3-4-17(2)20(11-16)14-31-22-10-7-19-12-23(27(30)32-25(19)13-22)26-29-24(15-33-26)18-5-8-21(28)9-6-18/h3-13,15H,14H2,1-2H3