ethyl 1-[[2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]thiazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-4-thiazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)methyl]thiazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H31N3O5S/c1-5-32-24(31)16-8-10-27(11-9-16)23(30)18-15-34-21(26-18)13-28-19-12-17(25(2,3)4)6-7-20(19)33-14-22(28)29/h6-7,12,15-16H,5,8-11,13-14H2,1-4H3