(2-acetamido-1,3-thiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O5S/c1-12-6-13(2)9-23(8-12)17-5-4-15(7-18(17)24(27)28)19(26)29-10-16-11-30-20(22-16)21-14(3)25/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,21,22,25)