S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate CAS Name: 4-ethoxybenzenecarbothioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate Traditional Name: 4-ethoxythiobenzoic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C15H16N2O2S/c1-4-19-13-7-5-12(6-8-13)14(18)20-15-16-10(2)9-11(3)17-15/h5-9H,4H2,1-3H3