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

Systemtic Name: methyl (6R)-4-ethyl-3-(4-fluorophenyl)-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-4-ethyl-3-(4-fluorophenyl)-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-ethyl-3-(4-fluorophenyl)-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-4-ethyl-3-(4-fluorophenyl)-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-ethyl-3-(4-fluorophenyl)-6-(4-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:

CCC1=C(C(NC(=S)N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18FN3O4S/c1-3-16-17(19(25)28-2)18(12-4-8-15(9-5-12)24(26)27)22-20(29)23(16)14-10-6-13(21)7-11-14/h4-11,18H,3H2,1-2H3,(H,22,29)/t18-/m1/s1