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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)F)F)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18F2N2O2S/c1-4-8-21-10(3)14(16(22)23-5-2)15(20-17(21)24)11-6-7-12(18)13(19)9-11/h4,6-7,9,15H,1,5,8H2,2-3H3,(H,20,24)/t15-/m1/s1