methyl 4-(2-chloranyl-4-fluoranyl-phenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-(2-chloranyl-4-fluoranyl-phenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(2-chloro-4-fluoro-phenyl)-6-methyl-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-6-methyl-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H14ClFN2O2S MolecularWeight: 364.821663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)C2=CC=CS2)C3=C(C=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(N=C(N1)C2=CC=CS2)C3=C(C=C(C=C3)F)Cl)C(=O)OC

InChI

InChI=1S/C17H14ClFN2O2S/c1-9-14(17(22)23-2)15(11-6-5-10(19)8-12(11)18)21-16(20-9)13-4-3-7-24-13/h3-8,15H,1-2H3,(H,20,21)