3-(4-fluorophenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H22FN3O2S2 MolecularWeight: 443.557383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)F)SCC(=O)N5CCCC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)F)SCC(=O)N5CCCC5

InChI

InChI=1S/C22H22FN3O2S2/c23-14-7-9-15(10-8-14)26-21(28)19-16-5-1-2-6-17(16)30-20(19)24-22(26)29-13-18(27)25-11-3-4-12-25/h7-10H,1-6,11-13H2