[(2R)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [(2R)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [(1R)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [(2R)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [(1R)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C

InChI

InChI=1S/C18H26N2O3S/c1-7-8-14-9-15(24-13(14)5)17(22)23-12(4)16(21)20-18(6,10-19)11(2)3/h9,11-12H,7-8H2,1-6H3,(H,20,21)/t12-,18-/m1/s1