propan-2-yl 6-(2-chloranyl-6-fluoranyl-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-(2-chloranyl-6-fluoranyl-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-(2-chloro-6-fluoro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-6-fluorophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-(2-chloro-6-fluorophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chloro-6-fluoro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C18H20ClFN2O2S MolecularWeight: 382.880003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC=C3Cl)F)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC=C3Cl)F)C(=O)OC(C)C

InChI

InChI=1S/C18H20ClFN2O2S/c1-9(2)24-17(23)14-10(3)22(11-7-8-11)18(25)21-16(14)15-12(19)5-4-6-13(15)20/h4-6,9,11,16H,7-8H2,1-3H3,(H,21,25)