O1-tert-butyl O3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (3R)-piperidine-1,3-dicarboxylate CAS Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (3R)-piperidine-1,3-dicarboxylate Traditional Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)26-17(24)21-7-4-5-13(10-21)16(23)25-11-14(22)20-15-12(9-19)6-8-27-15/h6,8,13H,4-5,7,10-11H2,1-3H3,(H,20,22)/t13-/m1/s1