[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxochromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-chromen-7-yl] ester Formula: C24H14BrNO4S MolecularWeight: 492.34126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H14BrNO4S/c1-13-19(30-24(28)14-6-8-15(25)9-7-14)11-10-16-21(27)17(12-29-22(13)16)23-26-18-4-2-3-5-20(18)31-23/h2-12H,1H3