[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C25H21N3O3S/c26-15-13-18-9-11-19(12-10-18)27-24(29)17-31-25(30)14-16-28-20-5-1-3-7-22(20)32-23-8-4-2-6-21(23)28/h1-12H,13-14,16-17H2,(H,27,29)