ethyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-4-(2-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H26ClN3O5S MolecularWeight: 528.01974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H26ClN3O5S/c1-2-35-26(32)23-19(18-9-5-6-10-20(18)27)16-36-25(23)28-24(31)17-11-12-21(22(15-17)30(33)34)29-13-7-3-4-8-14-29/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,28,31)