ethyl 1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4S/c1-3-29-23(28)19-10-12-26(13-11-19)22(27)18-7-5-17(6-8-18)15-31-24-25-20-14-16(2)4-9-21(20)30-24/h4-9,14,19H,3,10-13,15H2,1-2H3