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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(naphthalen-2-ylcarbonylamino)ethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(naphthalene-2-carbonylamino)acetate CAS Name: 2-[[2-naphthalenyl(oxo)methyl]amino]acetic 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-(naphthalene-2-carbonylamino)acetate Traditional Name: 2-(2-naphthoylamino)acetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H17N3O4S/c1-13-12-29-21(24-13)17(9-22)18(25)11-28-19(26)10-23-20(27)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12,17H,10-11H2,1H3,(H,23,27)/t17-/m1/s1