2-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid CAS Name: 2-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)N(CCO)CCSC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)N(CCO)CCSC#N

InChI

InChI=1S/C13H16N2O3S/c14-10-19-8-6-15(5-7-16)12-3-1-11(2-4-12)9-13(17)18/h1-4,16H,5-9H2,(H,17,18)