(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H19NO3S3 MolecularWeight: 465.60756

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H19NO3S3/c26-22(15-28-23(27)16-9-11-17(12-10-16)24-29-13-14-30-24)25-18-5-1-3-7-20(18)31-21-8-4-2-6-19(21)25/h1-12,24H,13-15H2