(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylphenyl)sulfanylpropanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-(p-tolylsulfanyl)propanoate CAS Name: 2-[(4-methylphenyl)thio]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-methylphenyl)sulfanylpropanoate Traditional Name: 2-(p-tolylthio)propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

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