(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H20O5S/c1-13-4-5-14(2)19(8-13)27-12-21(23)25-11-15-9-20(22)26-18-10-16(24-3)6-7-17(15)18/h4-10H,11-12H2,1-3H3