ethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-[(4-methoxyphenyl)methylthio]-5-nitrophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitrophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[5-nitro-2-(p-anisylthio)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H23N3O6S/c1-4-31-21(26)19-13(2)23-22(27)24-20(19)17-11-15(25(28)29)7-10-18(17)32-12-14-5-8-16(30-3)9-6-14/h5-11,20H,4,12H2,1-3H3,(H2,23,24,27)