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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)F)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)F)C(=O)OC(C)C

InChI

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