(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H22O4S MolecularWeight: 382.47268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSCC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSCC3=CC=C(C=C3)C

InChI

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