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

Systemtic Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-nitrophenoxy)acetamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-2-12-3-8-15-16(10-20)19(27-17(15)9-12)21-18(23)11-26-14-6-4-13(5-7-14)22(24)25/h4-7,12H,2-3,8-9,11H2,1H3,(H,21,23)/t12-/m1/s1