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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylphenyl)sulfanylpropanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 2-(p-tolylsulfanyl)propanoate CAS Name: 2-[(4-methylphenyl)thio]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(4-methylphenyl)sulfanylpropanoate Traditional Name: 2-(p-tolylthio)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C21H20O5S/c1-12-4-6-16(7-5-12)27-14(3)21(24)25-11-15-10-19(23)26-20-13(2)18(22)9-8-17(15)20/h4-10,14,22H,11H2,1-3H3