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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2S)-2-benzamidopropanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic 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)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-11-10-26-17(20-11)14(8-19)15(22)9-25-18(24)12(2)21-16(23)13-6-4-3-5-7-13/h3-7,10,12,14H,9H2,1-2H3,(H,21,23)/t12-,14+/m0/s1