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

Systemtic Name: 2-methoxyethyl 6-(2-chloranyl-5-nitro-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-(2-chloro-5-nitro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-5-nitrophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-(2-chloro-5-nitrophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chloro-5-nitro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H18ClN3O5S MolecularWeight: 399.84922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OCCOC

InChI

InChI=1S/C16H18ClN3O5S/c1-9-13(15(21)25-7-6-24-3)14(18-16(26)19(9)2)11-8-10(20(22)23)4-5-12(11)17/h4-5,8,14H,6-7H2,1-3H3,(H,18,26)