4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]-6-bromanyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]-6-bromanyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]-6-bromo-chromen-2-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]-6-bromo-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]-6-bromochromen-2-one Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]-6-bromo-coumarin Formula: C23H14BrNO3S MolecularWeight: 464.33116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCC4=CC(=O)OC5=C4C=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCC4=CC(=O)OC5=C4C=C(C=C5)Br

InChI

InChI=1S/C23H14BrNO3S/c24-16-7-10-20-18(12-16)15(11-22(26)28-20)13-27-17-8-5-14(6-9-17)23-25-19-3-1-2-4-21(19)29-23/h1-12H,13H2