6-(2-methylbutan-2-yl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-(2-methylbutan-2-yl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-(2-methylbutan-2-yl)-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-(2-methylbutan-2-yl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-4-23(2,3)15-9-10-17-18(13-15)31-22(20(17)21(24)28)25-19(27)11-8-14-6-5-7-16(12-14)26(29)30/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H2,24,28)(H,25,27)/b11-8+