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

Systemtic Name: ethyl (3S)-1-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4,5-diphenyloxazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(4,5-diphenyl-2-oxazolyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(4,5-diphenyloxazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-2-30-24(29)20-14-9-15-27(16-20)21(28)17-32-25-26-22(18-10-5-3-6-11-18)23(31-25)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3/t20-/m0/s1