(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H14BrNO4S MolecularWeight: 456.30916

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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(O4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)/C=C/C4=CC=C(O4)Br

InChI

InChI=1S/C21H14BrNO4S/c22-19-11-9-14(27-19)10-12-21(25)26-13-20(24)23-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)23/h1-12H,13H2/b12-10+