(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl)N

InChI

InChI=1S/C22H17ClN2O4S/c1-28-18-11-15(24)14(23)10-13(18)22(27)29-12-21(26)25-16-6-2-4-8-19(16)30-20-9-5-3-7-17(20)25/h2-11H,12,24H2,1H3