ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H21FN2O4S/c1-3-27-21(26)19-13(2)25(16-8-9-17-18(12-16)29-11-10-28-17)22(30)24-20(19)14-4-6-15(23)7-5-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,24,30)