(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid (2-keto-7,8-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)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

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

InChI

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