(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: 3-[4-(methylthio)phenyl]-2-propenoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: 3-[4-(methylthio)phenyl]acrylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C22H20O4S/c1-14-4-10-19-17(12-21(24)26-22(19)15(14)2)13-25-20(23)11-7-16-5-8-18(27-3)9-6-16/h4-12H,13H2,1-3H3