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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-benzamidoethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic 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] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-11-10-25-17(20-11)13(7-18)14(21)9-24-15(22)8-19-16(23)12-5-3-2-4-6-12/h2-6,10,13H,8-9H2,1H3,(H,19,23)/t13-/m1/s1