methyl 4,5-dimethyl-2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-12-7-9-23(10-8-12)16-6-5-15(11-17(16)24(27)28)19(25)22-20-18(21(26)29-4)13(2)14(3)30-20/h5-6,11-12H,7-10H2,1-4H3,(H,22,25)