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

Systemtic Name: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(2-methylphenyl)methoxy]chromen-2-one Openeye Name: 3-[4-(4-bromophenyl)thiazol-2-yl]-7-(o-tolylmethoxy)chromen-2-one CAS Name: 3-[4-(4-bromophenyl)-2-thiazolyl]-7-[(2-methylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(2-methylphenyl)methoxy]chromen-2-one Traditional Name: 3-[4-(4-bromophenyl)thiazol-2-yl]-7-(2-methylbenzyl)oxy-coumarin Formula: C26H18BrNO3S MolecularWeight: 504.39502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC(=CS4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=CC=C1COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC(=CS4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H18BrNO3S/c1-16-4-2-3-5-19(16)14-30-21-11-8-18-12-22(26(29)31-24(18)13-21)25-28-23(15-32-25)17-6-9-20(27)10-7-17/h2-13,15H,14H2,1H3