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

Systemtic Name: 2-ethylsulfanyl-3-[4-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethylsulfanyl-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-(ethylthio)-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethylsulfanyl-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-(ethylthio)-3-[4-[2-(4-keto-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propionic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-2-28-18(20(25)26)13-14-7-9-15(10-8-14)27-12-11-23-19(24)16-5-3-4-6-17(16)21-22-23/h3-10,18H,2,11-13H2,1H3,(H,25,26)