[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)SCC#N

InChI

InChI=1S/C25H21N3O3S2/c26-14-16-32-21-10-4-1-7-18(21)27-24(29)17-31-25(30)13-15-28-19-8-2-5-11-22(19)33-23-12-6-3-9-20(23)28/h1-12H,13,15-17H2,(H,27,29)