[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C27H24N2O3S MolecularWeight: 456.55606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H24N2O3S/c1-2-18-8-7-9-19-20(16-28-27(18)19)23(30)17-32-26(31)14-15-29-21-10-3-5-12-24(21)33-25-13-6-4-11-22(25)29/h3-13,16,28H,2,14-15,17H2,1H3