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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxochromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C26H18BrNO4S MolecularWeight: 520.39442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18BrNO4S/c1-3-19-22(25-28-18-6-4-5-7-21(18)33-25)23(29)17-12-13-20(14(2)24(17)31-19)32-26(30)15-8-10-16(27)11-9-15/h4-13H,3H2,1-2H3