propan-2-yl 2-chloranyl-4-fluoranyl-5-[6-methyl-2,4-bis(oxidanylidene)-5-thiocyanato-1H-pyrimidin-3-yl]benzoate

Systemtic Name: propan-2-yl 2-chloranyl-4-fluoranyl-5-[6-methyl-2,4-bis(oxidanylidene)-5-thiocyanato-1H-pyrimidin-3-yl]benzoate Openeye Name: isopropyl 2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-5-thiocyanato-1H-pyrimidin-3-yl)benzoate CAS Name: 2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-5-thiocyanato-1H-pyrimidin-3-yl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-5-thiocyanato-1H-pyrimidin-3-yl)benzoate Traditional Name: 2-chloro-5-(2,4-diketo-6-methyl-5-thiocyanato-1H-pyrimidin-3-yl)-4-fluoro-benzoic acid isopropyl ester Formula: C16H13ClFN3O4S MolecularWeight: 397.808523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)OC(C)C)Cl)F)SC#N

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)OC(C)C)Cl)F)SC#N

InChI

InChI=1S/C16H13ClFN3O4S/c1-7(2)25-15(23)9-4-12(11(18)5-10(9)17)21-14(22)13(26-6-19)8(3)20-16(21)24/h4-5,7H,1-3H3,(H,20,24)