(2Z)-2-[(4-methoxy-3-pentyl-thiophen-2-yl)methylidene]-4-(4-nitrophenyl)butanamide

Systemtic Name: (2Z)-2-[(4-methoxy-3-pentyl-thiophen-2-yl)methylidene]-4-(4-nitrophenyl)butanamide Openeye Name: (2Z)-2-[(4-methoxy-3-pentyl-2-thienyl)methylene]-4-(4-nitrophenyl)butanamide CAS Name: (2Z)-2-[(4-methoxy-3-pentyl-2-thiophenyl)methylidene]-4-(4-nitrophenyl)butanamide IUPAC Name: (2Z)-2-[(4-methoxy-3-pentylthiophen-2-yl)methylidene]-4-(4-nitrophenyl)butanamide Traditional Name: (Z)-3-(3-amyl-4-methoxy-2-thienyl)-2-[2-(4-nitrophenyl)ethyl]acrylamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(SC=C1OC)C=C(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CCCCCC1=C(SC=C1OC)/C=C(/CCC2=CC=C(C=C2)[N+](=O)[O-])\C(=O)N

InChI

InChI=1S/C21H26N2O4S/c1-3-4-5-6-18-19(27-2)14-28-20(18)13-16(21(22)24)10-7-15-8-11-17(12-9-15)23(25)26/h8-9,11-14H,3-7,10H2,1-2H3,(H2,22,24)/b16-13-