(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C21H20O4S/c1-3-15-8-9-17-16(11-20(22)25-18(17)10-15)12-24-21(23)13-26-19-7-5-4-6-14(19)2/h4-11H,3,12-13H2,1-2H3