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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

InChI

InChI=1S/C19H19N3O4S/c1-11-7-12(2)18(15(8-11)22(24)25)26-10-17(23)21-19-14(9-20)13-5-3-4-6-16(13)27-19/h7-8H,3-6,10H2,1-2H3,(H,21,23)