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

Systemtic Name: S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 2-phenylethanethioate Openeye Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic 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] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-9-7-11(16)15-13(14-9)18-12(17)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15,16)/t9-/m0/s1