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

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-4-[2-(methylthio)-3-nitrophenyl]-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-[2-(methylthio)-3-nitro-phenyl]-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S2/c1-5-23-15(20)12-9(2)17-16(25-4)18-13(12)10-7-6-8-11(19(21)22)14(10)24-3/h6-8,13H,5H2,1-4H3,(H,17,18)