[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CCCC1=CC=CS1

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCCC1=CC=CS1

InChI

InChI=1S/C16H22N2O3S/c1-12(2)16(3,11-17)18-14(19)10-21-15(20)8-4-6-13-7-5-9-22-13/h5,7,9,12H,4,6,8,10H2,1-3H3,(H,18,19)/t16-/m1/s1