ethyl 5-[2-[1-(3-methoxy-2-nitro-phenyl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[2-[1-(3-methoxy-2-nitro-phenyl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[2-[1-(3-methoxy-2-nitro-benzoyl)-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylate CAS Name: 5-[2-[1-[(3-methoxy-2-nitrophenyl)-oxomethyl]-4-piperidinyl]-4-thiazolyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[1-(3-methoxy-2-nitrobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[2-[1-(3-methoxy-2-nitro-benzoyl)-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylic acid ethyl ester Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(C(=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(C(=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7S/c1-3-32-22(28)15-11-18(33-24-15)16-12-34-20(23-16)13-7-9-25(10-8-13)21(27)14-5-4-6-17(31-2)19(14)26(29)30/h4-6,11-13H,3,7-10H2,1-2H3