tert-butyl 2-[[9-(2-methoxyphenyl)imino-10-thia-8-azaspiro[5.5]undecan-8-yl]carbothioylsulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[9-(2-methoxyphenyl)imino-10-thia-8-azaspiro[5.5]undecan-8-yl]carbothioylsulfanyl]ethanoate Openeye Name: tert-butyl 2-[9-(2-methoxyphenyl)imino-10-thia-8-azaspiro[5.5]undecane-8-carbothioyl]sulfanylacetate CAS Name: 2-[[[9-(2-methoxyphenyl)imino-10-thia-8-azaspiro[5.5]undecan-8-yl]-sulfanylidenemethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[9-(2-methoxyphenyl)imino-10-thia-8-azaspiro[5.5]undecane-8-carbothioyl]sulfanylacetate Traditional Name: 2-[[9-(2-methoxyphenyl)imino-10-thia-8-azaspiro[5.5]undecane-8-carbothioyl]thio]acetic acid tert-butyl ester Formula: C23H32N2O3S3 MolecularWeight: 480.70678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC(=S)N1CC2(CCCCC2)CSC1=NC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)OC(=O)CSC(=S)N1CC2(CCCCC2)CSC1=NC3=CC=CC=C3OC

InChI

InChI=1S/C23H32N2O3S3/c1-22(2,3)28-19(26)14-30-21(29)25-15-23(12-8-5-9-13-23)16-31-20(25)24-17-10-6-7-11-18(17)27-4/h6-7,10-11H,5,8-9,12-16H2,1-4H3