(2S)-2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-oxo-2-[4-(phenylcarbamoyl)-1-piperidyl]ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-[4-[anilino(oxo)methyl]-1-piperidinyl]-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-keto-2-[4-(phenylcarbamoyl)piperidino]ethyl]thio]propionate Formula: C17H21N2O4S- MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O4S/c1-12(17(22)23)24-11-15(20)19-9-7-13(8-10-19)16(21)18-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,18,21)(H,22,23)/p-1/t12-/m0/s1