N-tert-butyl-3-chloranyl-7-[2-(4-nitrophenoxy)ethanoylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[2-(4-nitrophenoxy)ethanoylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[2-(4-nitrophenoxy)acetyl]amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[2-(4-nitrophenoxy)acetyl]amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[2-(4-nitrophenoxy)acetyl]amino]benzothiophene-2-carboxamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-21(2,3)24-20(27)19-17(22)14-5-4-6-15(18(14)31-19)23-16(26)11-30-13-9-7-12(8-10-13)25(28)29/h4-10H,11H2,1-3H3,(H,23,26)(H,24,27)