methyl 1-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4,5-diphenyloxazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4,5-diphenyl-2-oxazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4,5-diphenyloxazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4S/c1-29-23(28)19-12-14-26(15-13-19)20(27)16-31-24-25-21(17-8-4-2-5-9-17)22(30-24)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3