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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-8-methyl-4-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C27H20BrNO4S MolecularWeight: 534.421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20BrNO4S/c1-14(2)24-22(26-29-19-6-4-5-7-21(19)34-26)23(30)18-12-13-20(15(3)25(18)33-24)32-27(31)16-8-10-17(28)11-9-16/h4-14H,1-3H3