ethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-chloro-4-fluorophenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-chloro-4-fluorophenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H17ClFN3O4S MolecularWeight: 449.883083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C20H17ClFN3O4S/c1-3-29-19(26)17-11(2)24(13-7-8-16(22)15(21)10-13)20(30)23-18(17)12-5-4-6-14(9-12)25(27)28/h4-10,18H,3H2,1-2H3,(H,23,30)/t18-/m0/s1