[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C24H19ClN2O6S MolecularWeight: 498.93546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)OCC(=O)N

InChI

InChI=1S/C24H19ClN2O6S/c1-31-19-10-14(6-8-18(19)32-12-22(26)28)24(30)33-13-23(29)27-16-4-2-3-5-20(16)34-21-9-7-15(25)11-17(21)27/h2-11H,12-13H2,1H3,(H2,26,28)