(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-cyanobenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-cyanobenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H14N2O3S MolecularWeight: 386.42316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H14N2O3S/c23-13-15-9-11-16(12-10-15)22(26)27-14-21(25)24-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)24/h1-12H,14H2