(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: 3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3,4-dimethoxyphenyl)acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO5S/c1-29-20-13-11-17(15-21(20)30-2)12-14-25(28)31-16-24(27)26-18-7-3-5-9-22(18)32-23-10-6-4-8-19(23)26/h3-15H,16H2,1-2H3