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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-nitropyridin-3-yl)oxy-ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(2-nitro-3-pyridyl)oxy]acetamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c1-10-4-5-11-12(8-18)17(26-14(11)7-10)20-15(22)9-25-13-3-2-6-19-16(13)21(23)24/h2-3,6,10H,4-5,7,9H2,1H3,(H,20,22)/t10-/m0/s1