ethyl (7S,9R)-2,7,9-triphenyl-4-oxa-8-thia-3-azaspiro[4.5]dec-2-ene-1-carboxylate

Systemtic Name: ethyl (7S,9R)-2,7,9-triphenyl-4-oxa-8-thia-3-azaspiro[4.5]dec-2-ene-1-carboxylate Openeye Name: ethyl (7S,9R)-2,7,9-triphenyl-4-oxa-8-thia-3-azaspiro[4.5]dec-2-ene-1-carboxylate CAS Name: (7S,9R)-2,7,9-triphenyl-4-oxa-8-thia-3-azaspiro[4.5]dec-2-ene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (7S,9R)-2,7,9-triphenyl-4-oxa-8-thia-3-azaspiro[4.5]dec-2-ene-1-carboxylate Traditional Name: (7S,9R)-2,7,9-triphenyl-4-oxa-8-thia-3-azaspiro[4.5]dec-2-ene-1-carboxylic acid ethyl ester Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=NOC12CC(SC(C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1C(=NOC12C[C@@H](S[C@@H](C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO3S/c1-2-31-27(30)25-26(22-16-10-5-11-17-22)29-32-28(25)18-23(20-12-6-3-7-13-20)33-24(19-28)21-14-8-4-9-15-21/h3-17,23-25H,2,18-19H2,1H3/t23-,24+,25?,28?