N-(2-cyanoethyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-N-phenyl-acetamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S2/c1-2-29(25,26)16-9-10-18-17(13-16)22-20(27-18)28-14-19(24)23(12-6-11-21)15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,12,14H2,1H3