ethyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5S/c1-3-32-22(29)16-4-6-17-20(13-16)33-23(24-17)25-21(28)15-5-7-18(19(12-15)27(30)31)26-10-8-14(2)9-11-26/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,25,28)