methyl (6R)-3-[(4-fluorophenyl)methyl]-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-[(4-fluorophenyl)methyl]-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-[(4-fluorophenyl)methyl]-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-[(4-fluorophenyl)methyl]-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-[(4-fluorophenyl)methyl]-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(4-fluorobenzyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC2=CC=C(C=C2)F)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC2=CC=C(C=C2)F)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18FN3O4S/c1-12-17(19(25)28-2)18(15-5-3-4-6-16(15)24(26)27)22-20(29)23(12)11-13-7-9-14(21)10-8-13/h3-10,18H,11H2,1-2H3,(H,22,29)/t18-/m1/s1