(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H22N2O6S2 MolecularWeight: 546.61408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C5=CC=CS5)OC

InChI

InChI=1S/C28H22N2O6S2/c1-34-21-14-17(18(15-22(21)35-2)29-27(32)25-12-7-13-37-25)28(33)36-16-26(31)30-19-8-3-5-10-23(19)38-24-11-6-4-9-20(24)30/h3-15H,16H2,1-2H3,(H,29,32)