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

Systemtic Name: ethyl 6-(acetyloxymethyl)-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(acetoxymethyl)-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-(acetyloxymethyl)-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(acetyloxymethyl)-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-(acetoxymethyl)-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-4-25-16(22)14-13(9-26-10(2)21)18-17(27-3)19-15(14)11-6-5-7-12(8-11)20(23)24/h5-8,15H,4,9H2,1-3H3,(H,18,19)