ethyl 4-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-7-(3-methoxy-4-oxidanyl-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-7-(3-methoxy-4-oxidanyl-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-(4-hydroxy-3-methoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-[(2-chloro-6-fluorophenyl)methylthio]-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-[(2-chloro-6-fluoro-benzyl)thio]-7-(4-hydroxy-3-methoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C30H27ClFN5O5S MolecularWeight: 624.082283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC(=C(C=C4)O)OC)SCC5=C(C=CC=C5Cl)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC(=C(C=C4)O)OC)SCC5=C(C=CC=C5Cl)F)C

InChI

InChI=1S/C30H27ClFN5O5S/c1-4-42-28(40)17-8-11-19(12-9-17)34-27(39)25-16(2)33-29-35-30(43-15-20-21(31)6-5-7-22(20)32)36-37(29)26(25)18-10-13-23(38)24(14-18)41-3/h5-14,26,38H,4,15H2,1-3H3,(H,34,39)(H,33,35,36)