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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-14-3-5-15(6-4-14)12-27-13-21(23)25-11-16-9-20(22)26-19-10-17(24-2)7-8-18(16)19/h3-10H,11-13H2,1-2H3