2-[[1-(2-ethyl-6-methyl-phenyl)imino-4-phenyl-2,4-diazaspiro[4.5]dec-2-en-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1-(2-ethyl-6-methyl-phenyl)imino-4-phenyl-2,4-diazaspiro[4.5]dec-2-en-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[1-(2-ethyl-6-methyl-phenyl)imino-4-phenyl-2,4-diazaspiro[4.5]dec-2-en-3-yl]sulfanyl]acetic acid CAS Name: 2-[[1-(2-ethyl-6-methylphenyl)imino-4-phenyl-2,4-diazaspiro[4.5]dec-2-en-3-yl]thio]acetic acid IUPAC Name: 2-[[1-(2-ethyl-6-methylphenyl)imino-4-phenyl-2,4-diazaspiro[4.5]dec-2-en-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[1-(2-ethyl-6-methyl-phenyl)imino-4-phenyl-2,4-diazaspiro[4.5]dec-2-en-3-yl]thio]acetic acid Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N=C2C3(CCCCC3)N(C(=N2)SCC(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1N=C2C3(CCCCC3)N(C(=N2)SCC(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O2S/c1-3-19-12-10-11-18(2)22(19)26-23-25(15-8-5-9-16-25)28(20-13-6-4-7-14-20)24(27-23)31-17-21(29)30/h4,6-7,10-14H,3,5,8-9,15-17H2,1-2H3,(H,29,30)