(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,4-diethoxybenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,4-diethoxybenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OCC

InChI

InChI=1S/C25H23NO5S/c1-3-29-20-14-13-17(15-21(20)30-4-2)25(28)31-16-24(27)26-18-9-5-7-11-22(18)32-23-12-8-6-10-19(23)26/h5-15H,3-4,16H2,1-2H3