S-methylsulfanyl 9-(7-oxidanylnaphthalen-1-yl)-10-thia-8-azaspiro[5.5]undecane-8-carbothioate

Systemtic Name: S-methylsulfanyl 9-(7-oxidanylnaphthalen-1-yl)-10-thia-8-azaspiro[5.5]undecane-8-carbothioate Openeye Name: S-methylsulfanyl 9-(7-hydroxy-1-naphthyl)-10-thia-8-azaspiro[5.5]undecane-8-carbothioate CAS Name: 9-(7-hydroxy-1-naphthalenyl)-10-thia-8-azaspiro[5.5]undecane-8-carbothioic acid S-(methylthio) ester IUPAC Name: S-methylsulfanyl 9-(7-hydroxynaphthalen-1-yl)-10-thia-8-azaspiro[5.5]undecane-8-carbothioate Traditional Name: 9-(7-hydroxy-1-naphthyl)-10-thia-8-azaspiro[5.5]undecane-8-carbothioic acid S-(methylthio) ester Formula: C21H25NO2S3 MolecularWeight: 419.6237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSSC(=O)N1CC2(CCCCC2)CSC1C3=CC=CC4=C3C=C(C=C4)O

Isomeric SMILES

CSSC(=O)N1CC2(CCCCC2)CSC1C3=CC=CC4=C3C=C(C=C4)O

InChI

InChI=1S/C21H25NO2S3/c1-25-27-20(24)22-13-21(10-3-2-4-11-21)14-26-19(22)17-7-5-6-15-8-9-16(23)12-18(15)17/h5-9,12,19,23H,2-4,10-11,13-14H2,1H3