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

Systemtic Name: methyl 3-ethyl-6-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-ethyl-6-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-6-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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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)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC)C

InChI

InChI=1S/C21H22FN3O4S2/c1-4-25-13(2)18(20(26)29-3)19(23-21(25)30)14-5-9-16(10-6-14)24-31(27,28)17-11-7-15(22)8-12-17/h5-12,19,24H,4H2,1-3H3,(H,23,30)