(4-nitrophenyl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3CC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3CC3)C

InChI

InChI=1S/C18H18N2O5S/c1-10-11(2)26-17(19-16(21)13-5-6-13)15(10)18(22)25-9-12-3-7-14(8-4-12)20(23)24/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,19,21)