[2-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

Systemtic Name: [2-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: [2-[4-(difluoromethoxy)anilino]-2-oxo-ethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoate CAS Name: 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Traditional Name: 3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propionic acid [2-[4-(difluoromethoxy)anilino]-2-keto-ethyl] ester Formula: C22H21F2N3O5S MolecularWeight: 477.481046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C22H21F2N3O5S/c23-22(24)32-13-7-5-12(6-8-13)25-17(28)11-31-18(29)10-9-16-26-20(30)19-14-3-1-2-4-15(14)33-21(19)27-16/h5-8,22H,1-4,9-11H2,(H,25,28)(H,26,27,30)