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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H17NO5S MolecularWeight: 431.46048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17NO5S/c26-23(14-28-24(27)12-10-16-9-11-19-20(13-16)30-15-29-19)25-17-5-1-3-7-21(17)31-22-8-4-2-6-18(22)25/h1-13H,14-15H2/b12-10+