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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-ylchromen-7-yl] benzoate Traditional Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C26H19NO4S MolecularWeight: 441.49836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H19NO4S/c1-15(2)24-22(25-27-19-10-6-7-11-21(19)32-25)23(28)18-13-12-17(14-20(18)31-24)30-26(29)16-8-4-3-5-9-16/h3-15H,1-2H3