[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C26H26N2O3S/c1-3-19-12-14-20(15-13-19)27-26(30)18(2)31-25(29)16-17-28-21-8-4-6-10-23(21)32-24-11-7-5-9-22(24)28/h4-15,18H,3,16-17H2,1-2H3,(H,27,30)