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

Systemtic Name: S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 3-chloranylbenzenecarbothioate Openeye Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 3-chlorobenzenecarbothioate CAS Name: 3-chlorobenzenecarbothioic 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-chlorobenzenecarbothioate Traditional Name: 3-chlorothiobenzoic acid S-[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C12H11ClN2O2S MolecularWeight: 282.74594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O2S/c1-7-5-10(16)15-12(14-7)18-11(17)8-3-2-4-9(13)6-8/h2-4,6-7H,5H2,1H3,(H,14,15,16)/t7-/m0/s1