(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H21NO5S/c1-3-30-17-12-13-21-18(14-17)16(2)25(32-21)26(29)31-15-24(28)27-19-8-4-6-10-22(19)33-23-11-7-5-9-20(23)27/h4-14H,3,15H2,1-2H3