(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H18N2O4S MolecularWeight: 442.48642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C=CC4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)/C=C/C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C25H18N2O4S/c26-15-16-30-19-12-9-18(10-13-19)11-14-25(29)31-17-24(28)27-20-5-1-3-7-22(20)32-23-8-4-2-6-21(23)27/h1-14H,16-17H2/b14-11+