2-[(1R)-1-cyanoethyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(1R)-1-cyanoethyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(1R)-1-cyanoethyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[(1R)-1-cyanoethyl]thio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(1R)-1-cyanoethyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[(1R)-1-cyanoethyl]thio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SC(C)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)S[C@H](C)C#N

InChI

InChI=1S/C14H17N3O3S2/c1-4-17(5-2)22(18,19)11-6-7-13-12(8-11)16-14(20-13)21-10(3)9-15/h6-8,10H,4-5H2,1-3H3/t10-/m1/s1