3,4-dihydro-2H-thiochromen-2-ylmethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 3,4-dihydro-2H-thiochromen-2-ylmethyl 3,4,5-trimethoxybenzoate Openeye Name: thiochroman-2-ylmethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 3,4-dihydro-2H-1-benzothiopyran-2-ylmethyl ester IUPAC Name: 3,4-dihydro-2H-thiochromen-2-ylmethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid thiochroman-2-ylmethyl ester Formula: C20H22O5S MolecularWeight: 374.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O5S/c1-22-16-10-14(11-17(23-2)19(16)24-3)20(21)25-12-15-9-8-13-6-4-5-7-18(13)26-15/h4-7,10-11,15H,8-9,12H2,1-3H3