[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19N3O4S2/c1-10(2)15(21-16(23)14-5-4-6-26-14)18(24)25-8-13(22)12(7-19)17-20-11(3)9-27-17/h4-6,9-10,12,15H,8H2,1-3H3,(H,21,23)/t12-,15+/m1/s1