ethyl 2-[2-(3-nitrophenyl)carbonyloxyethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-nitrophenyl)carbonyloxyethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-nitrobenzoyl)oxyacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-nitrobenzoyl)oxyacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-nitrobenzoyl)oxyacetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O7S/c1-2-30-22(27)17-12-18(14-7-4-3-5-8-14)32-20(17)23-19(25)13-31-21(26)15-9-6-10-16(11-15)24(28)29/h3-12H,2,13H2,1H3,(H,23,25)