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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H18O4S/c1-14-3-9-18-16(12-21(23)25-19(18)11-14)13-24-20(22)10-6-15-4-7-17(26-2)8-5-15/h3-12H,13H2,1-2H3/b10-6+