ethyl 5-(azepan-1-ylcarbonyl)-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(azepan-1-ylcarbonyl)-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(azepane-1-carbonyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[1-azepanyl(oxo)methyl]-4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(azepane-1-carbonyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(azepane-1-carbonyl)-4-methyl-2-[(4-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)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-3-31-22(28)17-14(2)18(21(27)24-12-6-4-5-7-13-24)32-20(17)23-19(26)15-8-10-16(11-9-15)25(29)30/h8-11H,3-7,12-13H2,1-2H3,(H,23,26)