(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H28N2O4S MolecularWeight: 476.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C27H28N2O4S/c30-24(29-20-5-1-3-7-22(20)34-23-8-4-2-6-21(23)29)16-33-25(31)15-28-26(32)27-12-17-9-18(13-27)11-19(10-17)14-27/h1-8,17-19H,9-16H2,(H,28,32)