3-(1,3-benzothiazol-2-yl)-8-bromanyl-6-[(2-chlorophenyl)methyl]chromen-2-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-bromanyl-6-[(2-chlorophenyl)methyl]chromen-2-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-bromo-6-[(2-chlorophenyl)methyl]chromen-2-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-bromo-6-[(2-chlorophenyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-bromo-6-[(2-chlorophenyl)methyl]chromen-2-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-bromo-6-(2-chlorobenzyl)coumarin Formula: C23H13BrClNO2S MolecularWeight: 482.77682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=C3C(=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=C3C(=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)Br)Cl

InChI

InChI=1S/C23H13BrClNO2S/c24-17-11-13(9-14-5-1-2-6-18(14)25)10-15-12-16(23(27)28-21(15)17)22-26-19-7-3-4-8-20(19)29-22/h1-8,10-12H,9H2