ethyl 4-[5-(2-chloranyl-5-nitro-phenyl)furan-2-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[5-(2-chloranyl-5-nitro-phenyl)furan-2-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-[5-(2-chloro-5-nitrophenyl)-2-furanyl]-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)SC)C

InChI

InChI=1S/C19H18ClN3O5S/c1-4-27-18(24)16-10(2)21-19(29-3)22-17(16)15-8-7-14(28-15)12-9-11(23(25)26)5-6-13(12)20/h5-9,17H,4H2,1-3H3,(H,21,22)