S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate Openeye Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester IUPAC Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-(4-keto-6-methyl-1H-pyrimidin-2-yl) ester Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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