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

Systemtic Name: ethyl 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-nitro-4-piperidino-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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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)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-2-31-21(28)15-6-8-16-19(13-15)32-22(23-16)24-20(27)14-7-9-17(18(12-14)26(29)30)25-10-4-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24,27)