(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H18O5S MolecularWeight: 382.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H18O5S/c1-24-16-6-9-18-15(11-21(23)26-19(18)12-16)13-25-20(22)10-5-14-3-7-17(27-2)8-4-14/h3-12H,13H2,1-2H3/b10-5+