ethyl 2-[(4-butylcyclohexyl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-butylcyclohexyl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-butylcyclohexyl)-oxomethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-butylcyclohexanecarbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H30N2O5S/c1-3-5-7-16-10-12-17(13-11-16)22(27)25-23-21(24(28)31-4-2)20(15-32-23)18-8-6-9-19(14-18)26(29)30/h6,8-9,14-17H,3-5,7,10-13H2,1-2H3,(H,25,27)