(2-methyl-1,3-thiazol-4-yl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-12-4-3-7-20(9-12)16-6-5-14(8-17(16)21(23)24)18(22)25-10-15-11-26-13(2)19-15/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3/t12-/m1/s1