(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=C(SN=N2)Cl)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=C(SN=N2)Cl)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O4S/c21-18-17(23-24-29-18)13-27-19(25)16(11-14-7-3-1-4-8-14)22-20(26)28-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,22,26)/t16-/m0/s1