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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methyl-2-nitro-phenoxy)acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methyl-2-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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-11-4-6-16(15(7-11)22(24)25)26-10-18(23)21-19-14(9-20)13-5-3-12(2)8-17(13)27-19/h4,6-7,12H,3,5,8,10H2,1-2H3,(H,21,23)/t12-/m0/s1