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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O4S/c1-14-3-6-17(7-4-14)26-10-9-20(22)24-13-16-12-21(23)25-19-11-15(2)5-8-18(16)19/h3-8,11-12H,9-10,13H2,1-2H3