N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C21H27N3OS/c1-5-16-8-10-17(11-9-16)20(18-7-6-12-26-18)23-13-19(25)24-21(4,14-22)15(2)3/h6-12,15,20,23H,5,13H2,1-4H3,(H,24,25)/t20-,21-/m1/s1