ethyl 2-ethylsulfanyl-3-[4-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoate

Systemtic Name: ethyl 2-ethylsulfanyl-3-[4-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoate Openeye Name: ethyl 2-ethylsulfanyl-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoate CAS Name: 2-(ethylthio)-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-ethylsulfanyl-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoate Traditional Name: 2-(ethylthio)-3-[4-[2-(4-keto-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propionic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3N=N2)SCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3N=N2)SCC

InChI

InChI=1S/C22H25N3O4S/c1-3-28-22(27)20(30-4-2)15-16-9-11-17(12-10-16)29-14-13-25-21(26)18-7-5-6-8-19(18)23-24-25/h5-12,20H,3-4,13-15H2,1-2H3