2-methoxyethyl (6R)-4-methyl-3-(2-methylpropyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6R)-4-methyl-3-(2-methylpropyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3-isobutyl-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-3-(2-methylpropyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-4-methyl-3-(2-methylpropyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-isobutyl-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C19H25N3O5S/c1-12(2)11-21-13(3)16(18(23)27-9-8-26-4)17(20-19(21)28)14-6-5-7-15(10-14)22(24)25/h5-7,10,12,17H,8-9,11H2,1-4H3,(H,20,28)/t17-/m1/s1