(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C22H22O4S/c1-14-4-6-18(7-5-14)27-9-8-21(23)25-13-17-12-22(24)26-20-11-16(3)15(2)10-19(17)20/h4-7,10-12H,8-9,13H2,1-3H3