ethyl 2-[(1S,5S)-6-ethanoyl-1-(phenylsulfanylmethyl)-6-azabicyclo[3.2.1]octan-5-yl]ethanoate

Systemtic Name: ethyl 2-[(1S,5S)-6-ethanoyl-1-(phenylsulfanylmethyl)-6-azabicyclo[3.2.1]octan-5-yl]ethanoate Openeye Name: ethyl 2-[(1S,5S)-6-acetyl-1-(phenylsulfanylmethyl)-6-azabicyclo[3.2.1]octan-5-yl]acetate CAS Name: 2-[(1S,5S)-6-acetyl-1-[(phenylthio)methyl]-6-azabicyclo[3.2.1]octan-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,5S)-6-acetyl-1-(phenylsulfanylmethyl)-6-azabicyclo[3.2.1]octan-5-yl]acetate Traditional Name: 2-[(1S,5S)-6-acetyl-1-[(phenylthio)methyl]-6-azabicyclo[3.2.1]octan-5-yl]acetic acid ethyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC12CCCC(C1)(CN2C(=O)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C[C@]12CCC[C@](C1)(CN2C(=O)C)CSC3=CC=CC=C3

InChI

InChI=1S/C20H27NO3S/c1-3-24-18(23)12-20-11-7-10-19(13-20,14-21(20)16(2)22)15-25-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3/t19-,20+/m0/s1