(E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-nitrophenyl)acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-22(2,3)15-7-10-17-18(13-23)21(29-19(17)12-15)24-20(26)11-6-14-4-8-16(9-5-14)25(27)28/h4-6,8-9,11,15H,7,10,12H2,1-3H3,(H,24,26)/b11-6+