N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-4-nitro-phenoxy)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

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