ethyl 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-methyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C29H29N3O4S2 MolecularWeight: 547.68826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)N3CCC4=CC=CC=C4C3)C)C(=O)N1CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)N3CCC4=CC=CC=C4C3)C)C(=O)N1CCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4S2/c1-3-36-23(33)18-37-29-30-26-24(27(34)32(29)16-13-20-9-5-4-6-10-20)19(2)25(38-26)28(35)31-15-14-21-11-7-8-12-22(21)17-31/h4-12H,3,13-18H2,1-2H3