(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H18ClNO5S MolecularWeight: 455.91072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl)OC

InChI

InChI=1S/C23H18ClNO5S/c1-28-18-12-14(11-15(24)22(18)29-2)23(27)30-13-21(26)25-16-7-3-5-9-19(16)31-20-10-6-4-8-17(20)25/h3-12H,13H2,1-2H3