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

Systemtic Name: ethyl 1-[[2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]oxazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4-oxazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[(4-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(C=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=COC(=N2)CSC3=NC4=C(C=CC=C4O3)C

InChI

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