S-[(2,4,6-trimethoxyphenyl)methyl] 3-prop-2-ynoxybenzenecarbothioate

Systemtic Name: S-[(2,4,6-trimethoxyphenyl)methyl] 3-prop-2-ynoxybenzenecarbothioate Openeye Name: S-[(2,4,6-trimethoxyphenyl)methyl] 3-prop-2-ynoxybenzenecarbothioate CAS Name: 3-prop-2-ynoxybenzenecarbothioic acid S-[(2,4,6-trimethoxyphenyl)methyl] ester IUPAC Name: S-[(2,4,6-trimethoxyphenyl)methyl] 3-prop-2-ynoxybenzenecarbothioate Traditional Name: 3-propargyloxythiobenzoic acid S-(2,4,6-trimethoxybenzyl) ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CSC(=O)C2=CC(=CC=C2)OCC#C)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CSC(=O)C2=CC(=CC=C2)OCC#C)OC

InChI

InChI=1S/C20H20O5S/c1-5-9-25-15-8-6-7-14(10-15)20(21)26-13-17-18(23-3)11-16(22-2)12-19(17)24-4/h1,6-8,10-12H,9,13H2,2-4H3