(2R)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylbutanedioate

Systemtic Name: (2R)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylbutanedioate Openeye Name: (2R)-2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylbutanedioate CAS Name: (2R)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]butanedioate IUPAC Name: (2R)-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylbutanedioate Traditional Name: (2R)-2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]succinate Formula: C18H21NO5S-2 MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CS[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H23NO5S/c20-16(12-25-15(18(23)24)11-17(21)22)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,21,22)(H,23,24)/p-2/t15-/m1/s1