(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl)C

InChI

InChI=1S/C22H18ClN3O3S/c1-14-15(22(23)25(2)24-14)11-12-21(28)29-13-20(27)26-16-7-3-5-9-18(16)30-19-10-6-4-8-17(19)26/h3-12H,13H2,1-2H3/b12-11+