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

Systemtic Name: methyl 4-cyano-3-methyl-5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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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(=O)OC)C)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-12-6-8-24(9-7-12)16-5-4-14(10-17(16)25(28)29)19(26)23-20-15(11-22)13(2)18(31-20)21(27)30-3/h4-5,10,12H,6-9H2,1-3H3,(H,23,26)