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

Systemtic Name: 2-methoxyethyl 4-methyl-3-(3-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-methyl-3-(m-tolyl)-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-(3-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-methyl-3-(3-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-(m-tolyl)-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-14-7-6-8-16(13-14)24-15(2)19(21(26)30-12-11-29-3)20(23-22(24)31)17-9-4-5-10-18(17)25(27)28/h4-10,13,20H,11-12H2,1-3H3,(H,23,31)