ethyl 2-(cyclohexylcarbonylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cyclohexylcarbonylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclohexanecarbonylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-3-28-21(25)18-17(14-9-11-16(12-10-14)23(26)27)13(2)29-20(18)22-19(24)15-7-5-4-6-8-15/h9-12,15H,3-8H2,1-2H3,(H,22,24)