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

Systemtic Name: 2-methoxyethyl 6-(4-chloranyl-3-nitro-phenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-(4-chloro-3-nitro-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chloro-3-nitrophenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-(4-chloro-3-nitrophenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chloro-3-nitro-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCOC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCOC)C

InChI

InChI=1S/C22H22ClN3O5S/c1-13-5-4-6-16(11-13)25-14(2)19(21(27)31-10-9-30-3)20(24-22(25)32)15-7-8-17(23)18(12-15)26(28)29/h4-8,11-12,20H,9-10H2,1-3H3,(H,24,32)