[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N4O5S/c1-3-27(4-2)21-12-11-18(29(32)33)14-19(21)25(31)34-16-23(30)28-13-7-8-17(15-28)24-26-20-9-5-6-10-22(20)35-24/h5-6,9-12,14,17H,3-4,7-8,13,15-16H2,1-2H3