ethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(cyclohexylamino)-oxomethyl]-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(cyclohexylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-3-31-22(28)17-13(2)18(20(27)23-15-9-5-4-6-10-15)32-21(17)24-19(26)14-8-7-11-16(12-14)25(29)30/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,23,27)(H,24,26)