[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)OC

InChI

InChI=1S/C25H24N2O5S/c1-30-20-12-11-17(15-21(20)31-2)26-24(28)16-32-25(29)13-14-27-18-7-3-5-9-22(18)33-23-10-6-4-8-19(23)27/h3-12,15H,13-14,16H2,1-2H3,(H,26,28)