2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C20H19N3OS3 MolecularWeight: 413.57936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3OS3/c1-2-12-7-8-13-14(10-21)19(26-17(13)9-12)23-18(24)11-25-20-22-15-5-3-4-6-16(15)27-20/h3-6,12H,2,7-9,11H2,1H3,(H,23,24)/t12-/m1/s1