methyl 2-[(6R)-4-methyl-6-(4-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(6R)-4-methyl-6-(4-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(6R)-4-methyl-6-(4-nitrophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(6R)-4-methyl-6-(4-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(6R)-4-methyl-6-(4-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-keto-2-[(6R)-4-methyl-6-(4-nitrophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidin-5-yl]acetic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-12-16(18(24)19(25)28-2)17(13-8-10-15(11-9-13)23(26)27)21-20(29)22(12)14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H,21,29)/t17-/m1/s1