(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H17N3O2S/c1-14(25-19-21-16-10-5-6-11-17(16)24-19)18(23)22(13-7-12-20)15-8-3-2-4-9-15/h2-6,8-11,14H,7,13H2,1H3/t14-/m1/s1