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

Systemtic Name: S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] ester IUPAC Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H16N2O4S/c1-8-6-12(17)16-14(15-8)21-13(18)9-4-5-10(19-2)11(7-9)20-3/h4-5,7-8H,6H2,1-3H3,(H,15,16,17)/t8-/m0/s1