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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-(quinazolin-4-ylthio)acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3S/c1-3-27-19-9-15-8-14(2)28-20(15)10-16(19)11-23-21(26)12-29-22-17-6-4-5-7-18(17)24-13-25-22/h4-7,9-10,13-14H,3,8,11-12H2,1-2H3,(H,23,26)/t14-/m0/s1