7-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-methylchromen-2-one Traditional Name: 7-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methoxy]-4-methyl-coumarin Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C21H16BrNO4S/c1-12-7-20(24)27-19-9-15(4-5-16(12)19)26-10-14-11-28-21(23-14)17-8-13(22)3-6-18(17)25-2/h3-9,11H,10H2,1-2H3