[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CCN4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CCN4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H34N2O3S/c1-19(29-15-20-12-21(16-29)14-22(13-20)17-29)30-27(32)18-34-28(33)10-11-31-23-6-2-4-8-25(23)35-26-9-5-3-7-24(26)31/h2-9,19-22H,10-18H2,1H3,(H,30,32)