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

Systemtic Name: ethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-bromophenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-bromophenyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O5S/c1-3-29-19(26)17-11(2)23(14-6-4-5-13(21)10-14)20(30)22-18(17)12-7-8-16(25)15(9-12)24(27)28/h4-10,18,25H,3H2,1-2H3,(H,22,30)/t18-/m0/s1