2-[(Z)-1-chloranyl-2-(3-fluoranyl-4-methoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3-fluoranyl-4-methoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(3-fluoro-4-methoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(3-fluoro-4-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(3-fluoro-4-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(3-fluoro-4-methoxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H11ClFN2O4S- MolecularWeight: 393.796643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC(=C(C=C3)OC)F)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=CC(=C(C=C3)OC)F)/Cl)C(=O)[O-]

InChI

InChI=1S/C17H12ClFN2O4S/c1-7-12-15(22)20-14(21-16(12)26-13(7)17(23)24)9(18)5-8-3-4-11(25-2)10(19)6-8/h3-6H,1-2H3,(H,23,24)(H,20,21,22)/p-1/b9-5-