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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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