N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H23N3O2S2/c1-20(2,3)13-7-8-14-15(11-21)19(27-16(14)10-13)22-17(24)12-26-18-6-4-5-9-23(18)25/h4-6,9,13H,7-8,10,12H2,1-3H3,(H,22,24)/t13-/m0/s1