[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [(3S)-3-(1,3-benzoxazol-2-yl)piperidino]-(2-thioxo-3-pyridylidene)methanolate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=C2C=CC=NC2=S)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=C2C=CC=NC2=S)[O-])C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H17N3O2S/c22-18(13-6-3-9-19-17(13)24)21-10-4-5-12(11-21)16-20-14-7-1-2-8-15(14)23-16/h1-3,6-9,12,22H,4-5,10-11H2/p-1/t12-/m0/s1