(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H16N2O5S MolecularWeight: 456.46994

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H16N2O5S/c26-13-17(11-16-9-10-20-21(12-16)32-15-31-20)25(29)30-14-24(28)27-18-5-1-3-7-22(18)33-23-8-4-2-6-19(23)27/h1-12H,14-15H2