3-[2-(2,3-dihydro-1,4-benzothiazin-4-ylmethyl)-1-benzofuran-5-yl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzothiazin-4-ylmethyl)-1-benzofuran-5-yl]-2-ethoxy-propanoic acid Openeye Name: 3-[2-(2,3-dihydro-1,4-benzothiazin-4-ylmethyl)benzofuran-5-yl]-2-ethoxy-propanoic acid CAS Name: 3-[2-(2,3-dihydro-1,4-benzothiazin-4-ylmethyl)-5-benzofuranyl]-2-ethoxypropanoic acid IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzothiazin-4-ylmethyl)-1-benzofuran-5-yl]-2-ethoxypropanoic acid Traditional Name: 3-[2-(2,3-dihydro-1,4-benzothiazin-4-ylmethyl)benzofuran-5-yl]-2-ethoxy-propionic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC2=C(C=C1)OC(=C2)CN3CCSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCOC(CC1=CC2=C(C=C1)OC(=C2)CN3CCSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H23NO4S/c1-2-26-20(22(24)25)12-15-7-8-19-16(11-15)13-17(27-19)14-23-9-10-28-21-6-4-3-5-18(21)23/h3-8,11,13,20H,2,9-10,12,14H2,1H3,(H,24,25)