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

Systemtic Name: S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 4-methoxybenzenecarbothioate Openeye Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic 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] 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-8-7-11(16)15-13(14-8)19-12(17)9-3-5-10(18-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15,16)/t8-/m0/s1