S-(4,6-dimethylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

InChI

InChI=1S/C16H18N2O4S/c1-9-6-10(2)18-16(17-9)23-15(19)11-7-12(20-3)14(22-5)13(8-11)21-4/h6-8H,1-5H3