(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)OC)C

InChI

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