methyl 8-oxidanylidene-8-[[4-[4-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]amino]octanoate

Systemtic Name: methyl 8-oxidanylidene-8-[[4-[4-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]amino]octanoate Openeye Name: methyl 8-oxo-8-[4-[4-phenyl-6-(2-pyridylsulfanylmethyl)-1,3-dioxan-2-yl]anilino]octanoate CAS Name: 8-oxo-8-[4-[4-phenyl-6-[(2-pyridinylthio)methyl]-1,3-dioxan-2-yl]anilino]octanoic acid methyl ester IUPAC Name: methyl 8-oxo-8-[4-[4-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]anilino]octanoate Traditional Name: 8-keto-8-[4-[4-phenyl-6-[(2-pyridylthio)methyl]-1,3-dioxan-2-yl]anilino]caprylic acid methyl ester Formula: C31H36N2O5S MolecularWeight: 548.69294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)NC1=CC=C(C=C1)C2OC(CC(O2)C3=CC=CC=C3)CSC4=CC=CC=N4

Isomeric SMILES

COC(=O)CCCCCCC(=O)NC1=CC=C(C=C1)C2OC(CC(O2)C3=CC=CC=C3)CSC4=CC=CC=N4

InChI

InChI=1S/C31H36N2O5S/c1-36-30(35)15-8-3-2-7-13-28(34)33-25-18-16-24(17-19-25)31-37-26(22-39-29-14-9-10-20-32-29)21-27(38-31)23-11-5-4-6-12-23/h4-6,9-12,14,16-20,26-27,31H,2-3,7-8,13,15,21-22H2,1H3,(H,33,34)