N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(4-nitrophenyl)cyclopentanecarboxamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)-1-cyclopentanecarboxamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(4-nitrophenyl)cyclopentanecarboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-14-4-9-17-18(13-23)20(29-19(17)12-14)24-21(26)22(10-2-3-11-22)15-5-7-16(8-6-15)25(27)28/h5-8,14H,2-4,9-12H2,1H3,(H,24,26)/t14-/m0/s1