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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-12-4-3-7-22(9-12)16-6-5-14(8-17(16)23(26)27)18(25)28-10-15-11-29-19(21-15)20-13(2)24/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,20,21,24)