[4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-octoxybenzoate

Systemtic Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-octoxybenzoate Openeye Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[2-(pentylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[2-(amylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C30H40N2O3S MolecularWeight: 508.7152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

InChI

InChI=1S/C30H40N2O3S/c1-3-5-7-8-9-10-23-34-27-17-13-25(14-18-27)29(33)35-28-19-15-26(16-20-28)32-22-12-21-31-30(32)36-24-11-6-4-2/h12-21H,3-11,22-24H2,1-2H3