[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H22N2O5S/c28-24(26-14-17-9-10-20-21(13-17)32-16-31-20)15-30-25(29)11-12-27-18-5-1-3-7-22(18)33-23-8-4-2-6-19(23)27/h1-10,13H,11-12,14-16H2,(H,26,28)