[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C22H26N2O3S/c1-3-16(4-2)23-21(25)15-27-22(26)13-14-24-17-9-5-7-11-19(17)28-20-12-8-6-10-18(20)24/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)