(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-phenylsulfanylethanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3)O

InChI

InChI=1S/C20H18O5S/c1-2-13-8-16-14(9-19(22)25-18(16)10-17(13)21)11-24-20(23)12-26-15-6-4-3-5-7-15/h3-10,21H,2,11-12H2,1H3