methyl 6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-(4-methoxyphenoxy)-3-nitrophenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-methoxyphenoxy)-3-nitrophenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C28H27N3O6S MolecularWeight: 533.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H27N3O6S/c1-4-8-22-25(27(32)36-3)26(29-28(38)30(22)19-9-6-5-7-10-19)18-11-16-24(23(17-18)31(33)34)37-21-14-12-20(35-2)13-15-21/h5-7,9-17,26H,4,8H2,1-3H3,(H,29,38)