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

Systemtic Name: ethyl 3-ethanoyl-4-[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-acetyl-4-[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-acetyl-4-[2-[(4-methoxyphenyl)methylthio]-5-nitrophenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-4-[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitrophenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-acetyl-2-keto-6-methyl-4-[5-nitro-2-(p-anisylthio)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C(=O)C)C

InChI

InChI=1S/C24H25N3O7S/c1-5-34-23(29)21-14(2)25-24(30)26(15(3)28)22(21)19-12-17(27(31)32)8-11-20(19)35-13-16-6-9-18(33-4)10-7-16/h6-12,22H,5,13H2,1-4H3,(H,25,30)