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

Systemtic Name: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)-6-oxidanyl-6-propan-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)-6-hydroxy-6-isopropyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)-6-hydroxy-6-propan-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)-6-hydroxy-6-propan-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)-6-hydroxy-6-isopropyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C23H25FN2O5S MolecularWeight: 460.518403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)F)C(=O)OC)O

Isomeric SMILES

CC(C)C1(C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)F)C(=O)OC)O

InChI

InChI=1S/C23H25FN2O5S/c1-13(2)23(28)19(21(27)29-3)20(14-5-4-6-15(24)11-14)25-22(32)26(23)16-7-8-17-18(12-16)31-10-9-30-17/h4-8,11-13,19-20,28H,9-10H2,1-3H3,(H,25,32)