[(2S)-6-sulfanylidene-2,3-dihydro-1H-pyridin-2-yl]methyl benzoate

Systemtic Name: [(2S)-6-sulfanylidene-2,3-dihydro-1H-pyridin-2-yl]methyl benzoate Openeye Name: [(2S)-6-thioxo-2,3-dihydro-1H-pyridin-2-yl]methyl benzoate CAS Name: benzoic acid [(2S)-6-sulfanylidene-2,3-dihydro-1H-pyridin-2-yl]methyl ester IUPAC Name: [(2S)-6-sulfanylidene-2,3-dihydro-1H-pyridin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S)-6-thioxo-2,3-dihydro-1H-pyridin-2-yl]methyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=S)NC1COC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C=CC(=S)N[C@@H]1COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S/c15-13(10-5-2-1-3-6-10)16-9-11-7-4-8-12(17)14-11/h1-6,8,11H,7,9H2,(H,14,17)/t11-/m0/s1