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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C26H19NO4S MolecularWeight: 441.49836

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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=CC=C3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

InChI=1S/C26H19NO4S/c1-3-19-22(25-27-18-11-7-8-12-21(18)32-25)23(28)17-13-14-20(15(2)24(17)30-19)31-26(29)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3