2-[[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]ethanoic acid

Systemtic Name: 2-[[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]ethanoic acid Openeye Name: 2-[[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid CAS Name: 2-[[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid IUPAC Name: 2-[[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid Traditional Name: 2-[[4-[(3-fluorobenzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid Formula: C20H20FN3O3S2 MolecularWeight: 433.519503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CS(=O)CC(=O)O)NCC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CS(=O)CC(=O)O)NCC4=CC(=CC=C4)F

InChI

InChI=1S/C20H20FN3O3S2/c21-13-5-3-4-12(8-13)9-22-19-18-14-6-1-2-7-15(14)28-20(18)24-16(23-19)10-29(27)11-17(25)26/h3-5,8H,1-2,6-7,9-11H2,(H,25,26)(H,22,23,24)