(4,5-dimethoxy-2-methyl-phenyl)methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-phenothiazin-10-ylpropanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)OC)OC

InChI

InChI=1S/C25H25NO4S/c1-17-14-21(28-2)22(29-3)15-18(17)16-30-25(27)12-13-26-19-8-4-6-10-23(19)31-24-11-7-5-9-20(24)26/h4-11,14-15H,12-13,16H2,1-3H3