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

Systemtic Name: ethyl 5-ethyl-2-[(2-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(2-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-4-11-9-13(17(21)24-5-2)16(25-11)18-15(20)12-7-6-8-14(10(12)3)19(22)23/h6-9H,4-5H2,1-3H3,(H,18,20)