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

Systemtic Name: methyl (6S)-6-[2,6-bis(fluoranyl)phenyl]-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H16F2N2O2S MolecularWeight: 338.372246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC=C3F)F)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CC2)C3=C(C=CC=C3F)F)C(=O)OC

InChI

InChI=1S/C16H16F2N2O2S/c1-8-12(15(21)22-2)14(13-10(17)4-3-5-11(13)18)19-16(23)20(8)9-6-7-9/h3-5,9,14H,6-7H2,1-2H3,(H,19,23)/t14-/m0/s1