methyl 4-ethyl-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N2O5S/c1-4-12-9(2)24-15(13(12)16(20)23-3)17-14(19)10-5-7-11(8-6-10)18(21)22/h5-8H,4H2,1-3H3,(H,17,19)