S-ethyl (3R,4S)-5-oxidanylidene-4-phenyl-2,3,4,4a-tetrahydroindeno[1,2-b]pyridine-3-carbothioate

Systemtic Name: S-ethyl (3R,4S)-5-oxidanylidene-4-phenyl-2,3,4,4a-tetrahydroindeno[1,2-b]pyridine-3-carbothioate Openeye Name: S-ethyl (3R,4S)-5-oxo-4-phenyl-2,3,4,4a-tetrahydroindeno[1,2-b]pyridine-3-carbothioate CAS Name: (3R,4S)-5-oxo-4-phenyl-2,3,4,4a-tetrahydroindeno[1,2-b]pyridine-3-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl (3R,4S)-5-oxo-4-phenyl-2,3,4,4a-tetrahydroindeno[1,2-b]pyridine-3-carbothioate Traditional Name: (3R,4S)-5-keto-4-phenyl-2,3,4,4a-tetrahydroindeno[1,2-b]pyridine-3-carbothioic acid S-ethyl ester Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1CN=C2C(C1C3=CC=CC=C3)C(=O)C4=CC=CC=C42

Isomeric SMILES

CCSC(=O)[C@H]1CN=C2C([C@@H]1C3=CC=CC=C3)C(=O)C4=CC=CC=C42

InChI

InChI=1S/C21H19NO2S/c1-2-25-21(24)16-12-22-19-14-10-6-7-11-15(14)20(23)18(19)17(16)13-8-4-3-5-9-13/h3-11,16-18H,2,12H2,1H3/t16-,17+,18?/m0/s1