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

Systemtic Name: 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]ethanoic acid Openeye Name: 2-[[4-[(2-chloro-4-fluoro-phenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid CAS Name: 2-[[4-[(2-chloro-4-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid IUPAC Name: 2-[[4-[(2-chloro-4-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid Traditional Name: 2-[[4-[(2-chloro-4-fluoro-benzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid Formula: C20H19ClFN3O3S2 MolecularWeight: 467.964563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFN3O3S2/c21-14-7-12(22)6-5-11(14)8-23-19-18-13-3-1-2-4-15(13)29-20(18)25-16(24-19)9-30(28)10-17(26)27/h5-7H,1-4,8-10H2,(H,26,27)(H,23,24,25)