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

Systemtic Name: ethyl 6-(4,5-dimethoxy-2-nitro-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4,5-dimethoxy-2-nitro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4,5-dimethoxy-2-nitrophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4,5-dimethoxy-2-nitrophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4,5-dimethoxy-2-nitro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O6S/c1-5-31-21(26)19-13(2)24(14-9-7-6-8-10-14)22(32)23-20(19)15-11-17(29-3)18(30-4)12-16(15)25(27)28/h6-12,20H,5H2,1-4H3,(H,23,32)