ethyl (2S)-2-cyano-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]imino-propionic acid ethyl ester Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(C1=CC=CS1)[NH+]2CCCC2)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NC[C@H](C1=CC=CS1)[NH+]2CCCC2)C#N

InChI

InChI=1S/C16H21N3O2S/c1-2-21-16(20)13(10-17)11-18-12-14(15-6-5-9-22-15)19-7-3-4-8-19/h5-6,9,11,13-14H,2-4,7-8,12H2,1H3/p+1/t13-,14-/m1/s1