[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-])C

InChI

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