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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OCC#N

InChI

InChI=1S/C26H20N2O5S/c1-31-22-16-18(10-12-21(22)32-15-14-27)11-13-26(30)33-17-25(29)28-19-6-2-4-8-23(19)34-24-9-5-3-7-20(24)28/h2-13,16H,15,17H2,1H3/b13-11+