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

Systemtic Name: methyl (6R)-4-ethyl-6-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-4-ethyl-6-(3-nitrophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-ethyl-6-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-4-ethyl-6-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-ethyl-6-(3-nitrophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-3-16-17(19(24)27-2)18(13-8-7-11-15(12-13)23(25)26)21-20(28)22(16)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,21,28)/t18-/m1/s1