[2-oxidanylidene-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-[2-(1-piperidyl)thiazol-4-yl]ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-[2-(1-piperidinyl)-4-thiazolyl]ethyl] ester IUPAC Name: [2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-(2-piperidinothiazol-4-yl)ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=CSC(=N2)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=CSC(=N2)N3CCCCC3

InChI

InChI=1S/C18H19N3O5S/c1-12-6-5-7-13(16(12)21(24)25)17(23)26-10-15(22)14-11-27-18(19-14)20-8-3-2-4-9-20/h5-7,11H,2-4,8-10H2,1H3