[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C21H21N3O4S/c1-2-12-22-21(27)23-19(25)14-28-20(26)11-13-24-15-7-3-5-9-17(15)29-18-10-6-4-8-16(18)24/h2-10H,1,11-14H2,(H2,22,23,25,27)