methyl 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoate

Systemtic Name: methyl 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoate Openeye Name: methyl 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)benzofuran-5-yl]propanoate CAS Name: 2-ethoxy-3-[2-(10-phenothiazinylmethyl)-5-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)-1-benzofuran-5-yl]propanoate Traditional Name: 2-ethoxy-3-[2-(phenothiazin-10-ylmethyl)benzofuran-5-yl]propionic acid methyl ester Formula: C27H25NO4S MolecularWeight: 459.5567

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO4S/c1-3-31-24(27(29)30-2)15-18-12-13-23-19(14-18)16-20(32-23)17-28-21-8-4-6-10-25(21)33-26-11-7-5-9-22(26)28/h4-14,16,24H,3,15,17H2,1-2H3