methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3CCCCC3)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3CCCCC3)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-12-9-10-14(11-16(12)25(29)30)19(26)24-21-17(22(28)31-3)13(2)18(32-21)20(27)23-15-7-5-4-6-8-15/h9-11,15H,4-8H2,1-3H3,(H,23,27)(H,24,26)