methyl 3-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-nitrobenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-nitrobenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-nitrobenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5S/c1-24-17(21)15-14(12-4-2-3-5-13(12)25-15)18-16(20)10-6-8-11(9-7-10)19(22)23/h2-9H,1H3,(H,18,20)