N-(4-chloranyl-2-fluoranyl-phenyl)-2-[[3-(2-methoxyethyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[[3-(2-methoxyethyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[[4-keto-3-(2-methoxyethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C21H21ClFN3O3S2 MolecularWeight: 481.991143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)F)SC4=C2CCCC4

Isomeric SMILES

COCCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)F)SC4=C2CCCC4

InChI

InChI=1S/C21H21ClFN3O3S2/c1-29-9-8-26-20(28)18-13-4-2-3-5-16(13)31-19(18)25-21(26)30-11-17(27)24-15-7-6-12(22)10-14(15)23/h6-7,10H,2-5,8-9,11H2,1H3,(H,24,27)