ethyl (6S)-6-[2,6-bis(fluoranyl)phenyl]-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-[2,6-bis(fluoranyl)phenyl]-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-cyclopropyl-6-(2,6-difluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-6-(2,6-difluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-cyclopropyl-6-(2,6-difluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-6-(2,6-difluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H18F2N2O2S MolecularWeight: 352.398826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=C(C=CC=C2F)F)C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=C(C=CC=C2F)F)C3CC3)C

InChI

InChI=1S/C17H18F2N2O2S/c1-3-23-16(22)13-9(2)21(10-7-8-10)17(24)20-15(13)14-11(18)5-4-6-12(14)19/h4-6,10,15H,3,7-8H2,1-2H3,(H,20,24)/t15-/m0/s1