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

Systemtic Name: 2-methoxyethyl (6S)-4-methyl-3-(4-methylphenyl)-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OCCOC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C([C@@H](NC2=S)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OCCOC)C

InChI

InChI=1S/C22H23N3O6S/c1-13-4-7-16(8-5-13)24-14(2)19(21(27)31-11-10-30-3)20(23-22(24)32)15-6-9-18(26)17(12-15)25(28)29/h4-9,12,20,26H,10-11H2,1-3H3,(H,23,32)/t20-/m0/s1