[(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C(C=CS1)N2C=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)OC(=O)C1=C(C=CS1)N2C=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-12(2)18(4,11-19)20-16(22)13(3)24-17(23)15-14(7-10-25-15)21-8-5-6-9-21/h5-10,12-13H,1-4H3,(H,20,22)/t13-,18+/m0/s1