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

Systemtic Name: ethyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-propanoyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-propanoylthiophene-3-carboxylate Traditional Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C18H18N2O6S/c1-4-13(21)15-10(3)14(18(23)26-5-2)17(27-15)19-16(22)11-7-6-8-12(9-11)20(24)25/h6-9H,4-5H2,1-3H3,(H,19,22)