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

Systemtic Name: methyl (6S)-3-(4-methoxyphenyl)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(4-hydroxy-3-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-hydroxy-3-nitrophenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(4-hydroxy-3-nitrophenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-hydroxy-3-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N3O6S/c1-11-17(19(25)29-3)18(12-4-9-16(24)15(10-12)23(26)27)21-20(30)22(11)13-5-7-14(28-2)8-6-13/h4-10,18,24H,1-3H3,(H,21,30)/t18-/m0/s1