propan-2-yl 2-[(3,5-dinitrophenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(3,5-dinitrophenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[(3,5-dinitrobenzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3,5-dinitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7S/c1-5-14-10(4)29-17(15(14)18(23)28-9(2)3)19-16(22)11-6-12(20(24)25)8-13(7-11)21(26)27/h6-9H,5H2,1-4H3,(H,19,22)