methyl 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)sulfonylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-(nosylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C21H22N4O6S2/c1-4-24-13(2)18(20(26)31-3)19(22-21(24)32)14-5-7-15(8-6-14)23-33(29,30)17-11-9-16(10-12-17)25(27)28/h5-12,19,23H,4H2,1-3H3,(H,22,32)