[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(C=C(C=C4S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(C=C(C=C4S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5S/c1-14-6-8-27(9-7-14)18-5-4-17(12-19(18)28(31)32)23(30)33-13-21(29)25-24-26-22-16(3)10-15(2)11-20(22)34-24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,26,29)