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

Systemtic Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-12-5-8-21(9-6-12)15-4-3-13(11-16(15)22(25)26)17(23)20-18-14(7-10-28-18)19(24)27-2/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,20,23)