(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]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)C#N)SC2=CC=CC=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H18N2O3S2/c29-17-19-9-1-5-13-23(19)34-24-14-6-2-10-20(24)28(32)33-18-27(31)30-21-11-3-7-15-25(21)35-26-16-8-4-12-22(26)30/h1-16H,18H2