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

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H23FN2O4S MolecularWeight: 442.503123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)F)C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)F)C(=O)OC

InChI

InChI=1S/C23H23FN2O4S/c1-3-5-17-20(22(27)28-2)21(14-6-4-7-15(24)12-14)25-23(31)26(17)16-8-9-18-19(13-16)30-11-10-29-18/h4,6-9,12-13,21H,3,5,10-11H2,1-2H3,(H,25,31)