(3-oxidanylidene-1H-2-benzofuran-1-yl) 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propanoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propanoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propanoate CAS Name: 2-(7-methoxy-10-methyl-2-phenothiazinyl)propanoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-(7-methoxy-10-methylphenothiazin-2-yl)propanoate Traditional Name: 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propionic acid phthalidyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(N2C)C=CC(=C3)OC)C(=O)OC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(N2C)C=CC(=C3)OC)C(=O)OC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C25H21NO5S/c1-14(23(27)30-25-18-7-5-4-6-17(18)24(28)31-25)15-8-11-21-20(12-15)26(2)19-10-9-16(29-3)13-22(19)32-21/h4-14,25H,1-3H3