[2-(2-methylsulfanylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2-methylsulfanylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-methylsulfanylphenothiazin-10-yl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[2-(methylthio)-10-phenothiazinyl]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylphenothiazin-10-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[2-(methylthio)phenothiazin-10-yl]ethyl] ester Formula: C23H17NO5S2 MolecularWeight: 451.51478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)COC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)COC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17NO5S2/c1-30-15-7-9-21-17(11-15)24(16-4-2-3-5-20(16)31-21)22(25)12-27-23(26)14-6-8-18-19(10-14)29-13-28-18/h2-11H,12-13H2,1H3