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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC4=C(C=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC4=C(C=CC=C4O3)C

InChI

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