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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCC(=O)NC(C)(C#N)C(C)C)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CC

InChI

InChI=1S/C18H26N2O3S/c1-6-8-14-13(7-2)9-15(24-14)17(22)23-10-16(21)20-18(5,11-19)12(3)4/h9,12H,6-8,10H2,1-5H3,(H,20,21)/t18-/m1/s1