S-pyrimidin-2-yl 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-pyrimidin-2-yl 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-pyrimidin-2-yl 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-(2-pyrimidinyl) ester IUPAC Name: S-pyrimidin-2-yl 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-(2-pyrimidyl) ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC=CC=N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC=CC=N2

InChI

InChI=1S/C14H14N2O4S/c1-18-10-7-9(8-11(19-2)12(10)20-3)13(17)21-14-15-5-4-6-16-14/h4-8H,1-3H3