(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-14-3-6-17(7-4-14)27-10-9-20(22)25-13-15-11-21(23)26-19-12-16(24-2)5-8-18(15)19/h3-8,11-12H,9-10,13H2,1-2H3