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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC2CCC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC2CCC3=CC=CC=C3S2)OC)OC

InChI

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