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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H17N3O2S2 MolecularWeight: 359.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S2/c1-11-5-6-12-13(9-18)17(24-14(12)8-11)19-15(21)10-23-16-4-2-3-7-20(16)22/h2-4,7,11H,5-6,8,10H2,1H3,(H,19,21)/t11-/m0/s1