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

Systemtic Name: 2-methoxyethyl (6S)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6S/c1-13-18(20(26)30-11-10-29-2)19(14-8-9-17(25)16(12-14)24(27)28)22-21(31)23(13)15-6-4-3-5-7-15/h3-9,12,19,25H,10-11H2,1-2H3,(H,22,31)/t19-/m0/s1