N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H21N3O3S2/c1-3-25-16-7-13-6-12(2)26-17(13)8-14(16)9-21-18(24)10-28-20-15-4-5-27-19(15)22-11-23-20/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,21,24)/t12-/m0/s1