(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H18N2O3S2 MolecularWeight: 494.58412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C28H18N2O3S2/c31-26(30-21-12-4-7-15-24(21)34-25-16-8-5-13-22(25)30)17-33-28(32)19-10-2-1-9-18(19)27-29-20-11-3-6-14-23(20)35-27/h1-16H,17H2