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

Systemtic Name: S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] benzenecarbothioate Openeye Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] benzenecarbothioate CAS Name: benzenecarbothioic 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] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S/c1-8-7-10(15)14-12(13-8)17-11(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)/t8-/m0/s1