(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: 3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H20ClNO5S MolecularWeight: 481.948

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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)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)Cl)OC

InChI

InChI=1S/C25H20ClNO5S/c1-30-20-14-16(13-17(26)25(20)31-2)11-12-24(29)32-15-23(28)27-18-7-3-5-9-21(18)33-22-10-6-4-8-19(22)27/h3-14H,15H2,1-2H3