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

Systemtic Name: ethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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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(=CC=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4S/c1-3-28-19(25)17-12(2)23(14-8-6-7-13(21)11-14)20(29)22-18(17)15-9-4-5-10-16(15)24(26)27/h4-11,18H,3H2,1-2H3,(H,22,29)/t18-/m0/s1