ethyl 6-methyl-4-(3-nitrophenyl)-2-(phenylcarbonylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-(phenylcarbonylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-benzoylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(benzoylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzoylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(benzoylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c1-3-29-19(25)17-13(2)22-21(30-20(26)14-8-5-4-6-9-14)23-18(17)15-10-7-11-16(12-15)24(27)28/h4-12,18H,3H2,1-2H3,(H,22,23)