(1-oxidanylidene-3,4-dihydro-2H-thiochromen-2-yl)methyl 3,4,5-trimethoxybenzoate

Systemtic Name: (1-oxidanylidene-3,4-dihydro-2H-thiochromen-2-yl)methyl 3,4,5-trimethoxybenzoate Openeye Name: (1-oxo-3,4-dihydro-2H-thiochromen-2-yl)methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (1-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)methyl ester IUPAC Name: (1-oxo-3,4-dihydro-2H-thiochromen-2-yl)methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (1-keto-3,4-dihydro-2H-thiochromen-2-yl)methyl ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2CCC3=CC=CC=C3S2=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2CCC3=CC=CC=C3S2=O

InChI

InChI=1S/C20H22O6S/c1-23-16-10-14(11-17(24-2)19(16)25-3)20(21)26-12-15-9-8-13-6-4-5-7-18(13)27(15)22/h4-7,10-11,15H,8-9,12H2,1-3H3