2-methoxyethyl 6-(2-chloranyl-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-(2-chloranyl-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-(2-chloro-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-5-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-(2-chloro-5-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chloro-5-nitro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OCCOC

InChI

InChI=1S/C18H20ClN3O5S/c1-10-15(17(23)27-8-7-26-2)16(20-18(28)21(10)11-3-4-11)13-9-12(22(24)25)5-6-14(13)19/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H,20,28)