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

Systemtic Name: butyl 2-[(3-nitrophenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(3-nitrobenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-nitrobenzoyl)amino]benzothiophene-3-carboxylic acid butyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c1-2-3-11-27-20(24)17-15-9-4-5-10-16(15)28-19(17)21-18(23)13-7-6-8-14(12-13)22(25)26/h4-10,12H,2-3,11H2,1H3,(H,21,23)