(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-cyanobenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-cyanobenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-cyanobenzoate Traditional Name: 3-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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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