ethyl (2R)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]imino-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]imino-propanoate Openeye Name: ethyl (2R)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]imino-propanoate CAS Name: (2R)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]iminopropanoate Traditional Name: (2R)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]imino-propionic acid ethyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(C1=CC=CS1)C2=CNC3=CC=CC=C32)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NC[C@H](C1=CC=CS1)C2=CNC3=CC=CC=C32)C#N

InChI

InChI=1S/C20H19N3O2S/c1-2-25-20(24)14(10-21)11-22-12-17(19-8-5-9-26-19)16-13-23-18-7-4-3-6-15(16)18/h3-9,11,13-14,17,23H,2,12H2,1H3/t14-,17-/m0/s1