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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxochromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2,8-dimethyl-chromen-7-yl] ester Formula: C25H16BrNO4S MolecularWeight: 506.36784

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H16BrNO4S/c1-13-19(31-25(29)15-7-9-16(26)10-8-15)12-11-17-22(28)21(14(2)30-23(13)17)24-27-18-5-3-4-6-20(18)32-24/h3-12H,1-2H3