3-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanylpropanoate

Systemtic Name: 3-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanylpropanoate Openeye Name: 3-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanylpropanoate CAS Name: 3-[[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]propanoate IUPAC Name: 3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylpropanoate Traditional Name: 3-[[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]thio]propionate Formula: C16H20NO3S- MolecularWeight: 306.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SCCC(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)SCCC(=O)[O-]

InChI

InChI=1S/C16H21NO3S/c18-14(19)9-12-21-15(13-7-3-1-4-8-13)16(20)17-10-5-2-6-11-17/h1,3-4,7-8,15H,2,5-6,9-12H2,(H,18,19)/p-1/t15-/m0/s1