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

Systemtic Name: propan-2-yl 2-[(3,5-dinitrophenyl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: isopropyl 2-[(3,5-dinitrobenzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3,5-dinitrobenzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid isopropyl ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7S/c1-4-14-5-7-15(8-6-14)19-12-34-22(20(19)23(28)33-13(2)3)24-21(27)16-9-17(25(29)30)11-18(10-16)26(31)32/h5-13H,4H2,1-3H3,(H,24,27)