2-ethoxy-2-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-ethoxy-2-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-ethoxy-2-[2-(phenothiazin-10-ylmethyl)benzofuran-5-yl]propanoic acid CAS Name: 2-ethoxy-2-[2-(10-phenothiazinylmethyl)-5-benzofuranyl]propanoic acid IUPAC Name: 2-ethoxy-2-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-ethoxy-2-[2-(phenothiazin-10-ylmethyl)benzofuran-5-yl]propionic acid Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C1=CC2=C(C=C1)OC(=C2)CN3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

Isomeric SMILES

CCOC(C)(C1=CC2=C(C=C1)OC(=C2)CN3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C26H23NO4S/c1-3-30-26(2,25(28)29)18-12-13-22-17(14-18)15-19(31-22)16-27-20-8-4-6-10-23(20)32-24-11-7-5-9-21(24)27/h4-15H,3,16H2,1-2H3,(H,28,29)