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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4F)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4F)C(=O)OC

InChI

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