[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] benzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] benzoate Traditional Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H19NO4S MolecularWeight: 441.49836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5

InChI

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