ethyl 1-[[2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazol-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]oxazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4-oxazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]oxazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=COC(=N2)CSC3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=COC(=N2)CSC3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C21H23N3O5S/c1-3-27-20(26)14-6-8-24(9-7-14)19(25)16-11-28-18(22-16)12-30-21-23-15-10-13(2)4-5-17(15)29-21/h4-5,10-11,14H,3,6-9,12H2,1-2H3