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

Systemtic Name: 4-[(6S)-3-(4-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(4-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(4-chlorophenyl)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(4-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-3-(4-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C21H19ClN3O6S- MolecularWeight: 476.91006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O6S/c1-12-18(20(27)31-10-9-30-2)19(13-3-8-17(26)16(11-13)25(28)29)23-21(32)24(12)15-6-4-14(22)5-7-15/h3-8,11,19,26H,9-10H2,1-2H3,(H,23,32)/p-1/t19-/m0/s1