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

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-4-22-14(19)12-9(2)16-15(23-3)17-13(12)10-6-5-7-11(8-10)18(20)21/h5-8,13H,4H2,1-3H3,(H,16,17)