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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)cyclopentanecarboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-nitrophenyl)-1-cyclopentanecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)cyclopentanecarboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H21N3O3S/c22-13-17-16-5-1-2-6-18(16)28-19(17)23-20(25)21(11-3-4-12-21)14-7-9-15(10-8-14)24(26)27/h7-10H,1-6,11-12H2,(H,23,25)