(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(1-ethylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(1-ethylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-(1-ethylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-ethyl-2-benzimidazolyl)thio]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-(1-ethylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethylbenzimidazol-2-yl)thio]acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H20N2O5S/c1-3-24-18-7-5-4-6-17(18)23-22(24)30-13-21(26)28-12-14-10-20(25)29-19-11-15(27-2)8-9-16(14)19/h4-11H,3,12-13H2,1-2H3