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

Systemtic Name: 2-methoxyethyl 4-methyl-6-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-methyl-6-(3-nitrophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-methyl-6-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-nitrophenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C21H21N3O5S/c1-14-18(20(25)29-12-11-28-2)19(15-7-6-10-17(13-15)24(26)27)22-21(30)23(14)16-8-4-3-5-9-16/h3-10,13,19H,11-12H2,1-2H3,(H,22,30)