(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-butoxybenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-butoxybenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C25H23NO4S/c1-2-3-16-29-19-14-12-18(13-15-19)25(28)30-17-24(27)26-20-8-4-6-10-22(20)31-23-11-7-5-9-21(23)26/h4-15H,2-3,16-17H2,1H3