5-[(1S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(3-fluorophenyl)-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 5-[(1S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(3-fluorophenyl)-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(3-fluorophenyl)-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(3-fluorophenyl)-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(3-fluorophenyl)-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-(3-fluorophenyl)-2-thioxo-pyrimidine-4,6-diolate Formula: C21H16FN3O3S-2 MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)N=C3[O-])C4=CC(=CC=C4)F)[O-]

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2[C@H]1C3=C(N(C(=S)N=C3[O-])C4=CC(=CC=C4)F)[O-]

InChI

InChI=1S/C21H18FN3O3S/c1-12(26)24-10-9-13-5-2-3-8-16(13)18(24)17-19(27)23-21(29)25(20(17)28)15-7-4-6-14(22)11-15/h2-8,11,18,28H,9-10H2,1H3,(H,23,27,29)/p-2/t18-/m0/s1