[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C25H24N2O3S/c1-17-13-18(2)15-19(14-17)26-24(28)16-30-25(29)11-12-27-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)27/h3-10,13-15H,11-12,16H2,1-2H3,(H,26,28)