(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfanylbenzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfanylbenzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O4S/c1-3-13-4-9-17-15(11-19(21)24-18(17)10-13)12-23-20(22)14-5-7-16(25-2)8-6-14/h4-11H,3,12H2,1-2H3