ethyl 5-ethyl-2-[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(3-methoxycarbonyl-5-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(3-methoxycarbonyl-5-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(3-carbomethoxy-5-nitro-benzoyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C(=O)OCC

InChI

InChI=1S/C18H18N2O7S/c1-4-13-9-14(18(23)27-5-2)16(28-13)19-15(21)10-6-11(17(22)26-3)8-12(7-10)20(24)25/h6-9H,4-5H2,1-3H3,(H,19,21)