butyl 2-[2-(4-nitrophenyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[2-(4-nitrophenyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(4-nitrophenyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-nitrophenyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-nitrophenyl)acetyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S/c1-2-3-12-28-21(25)19-16-6-4-5-7-17(16)29-20(19)22-18(24)13-14-8-10-15(11-9-14)23(26)27/h4-11H,2-3,12-13H2,1H3,(H,22,24)