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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-acetamidopropanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CCNC(=O)C

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)CCNC(=O)C

InChI

InChI=1S/C13H15N3O4S/c1-8-7-21-13(16-8)10(5-14)11(18)6-20-12(19)3-4-15-9(2)17/h7,10H,3-4,6H2,1-2H3,(H,15,17)/t10-/m0/s1