(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H25NO4S2 MolecularWeight: 491.6217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C27H25NO4S2/c1-27(2,3)24(29)16-32-26(31)18-10-4-7-13-21(18)33-17-25(30)28-19-11-5-8-14-22(19)34-23-15-9-6-12-20(23)28/h4-15H,16-17H2,1-3H3