(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H20N2O4S MolecularWeight: 444.5023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C25H20N2O4S/c1-17(28)26-19(15-18-9-3-2-4-10-18)25(30)31-16-24(29)27-20-11-5-7-13-22(20)32-23-14-8-6-12-21(23)27/h2-15H,16H2,1H3,(H,26,28)/b19-15+