4-[(6S)-5-(2-methoxyethoxycarbonyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate

Systemtic Name: 4-[(6S)-5-(2-methoxyethoxycarbonyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-5-(2-methoxyethoxycarbonyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-5-(2-methoxyethoxycarbonyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-(2-methoxyethoxycarbonyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C21H20N3O6S- MolecularWeight: 442.465

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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)/p-1/t19-/m0/s1