ethyl (3S)-1-[3-[(2S)-5-oxidanylidene-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[(2S)-5-oxidanylidene-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(2S)-5-oxo-2-(3-thienylmethyl)pyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-3-[(2S)-5-oxo-2-(3-thiophenylmethyl)-2-pyrrolidinyl]propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(2S)-5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[(2S)-5-keto-2-(3-thenyl)pyrrolidin-2-yl]propanoyl]nipecotic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCC2(CCC(=O)N2)CC3=CSC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CC[C@@]2(CCC(=O)N2)CC3=CSC=C3

InChI

InChI=1S/C20H28N2O4S/c1-2-26-19(25)16-4-3-10-22(13-16)18(24)6-9-20(8-5-17(23)21-20)12-15-7-11-27-14-15/h7,11,14,16H,2-6,8-10,12-13H2,1H3,(H,21,23)/t16-,20-/m0/s1