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

Systemtic Name: butyl 2-[(2-methyl-3-nitro-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(2-methyl-3-nitro-benzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-methyl-3-nitro-benzoyl)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)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-3-4-12-28-21(25)18-15-8-5-6-11-17(15)29-20(18)22-19(24)14-9-7-10-16(13(14)2)23(26)27/h5-11H,3-4,12H2,1-2H3,(H,22,24)