butyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(2-chloro-5-nitro-benzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-chloro-5-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]benzothiophene-3-carboxylic acid butyl ester Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5S/c1-2-3-10-28-20(25)17-13-6-4-5-7-16(13)29-19(17)22-18(24)14-11-12(23(26)27)8-9-15(14)21/h4-9,11H,2-3,10H2,1H3,(H,22,24)