2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)benzofuran-5-yl]propanoic acid CAS Name: 2-ethoxy-3-[2-(10-phenothiazinylmethyl)-5-benzofuranyl]propanoic acid IUPAC Name: 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-ethoxy-3-[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(CC1=CC2=C(C=C1)OC(=C2)CN3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

Isomeric SMILES

CCOC(CC1=CC2=C(C=C1)OC(=C2)CN3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C26H23NO4S/c1-2-30-23(26(28)29)14-17-11-12-22-18(13-17)15-19(31-22)16-27-20-7-3-5-9-24(20)32-25-10-6-4-8-21(25)27/h3-13,15,23H,2,14,16H2,1H3,(H,28,29)