4-[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]phenoxy]benzoic acid

Systemtic Name: 4-[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]phenoxy]benzoic acid Openeye Name: 4-[4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]phenoxy]benzoic acid CAS Name: 4-[4-[[(2R)-2-amino-3-mercaptopropyl]amino]phenoxy]benzoic acid IUPAC Name: 4-[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]phenoxy]benzoic acid Traditional Name: 4-[4-[[(2R)-2-amino-3-mercapto-propyl]amino]phenoxy]benzoic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)NCC(CS)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)NC[C@H](CS)N

InChI

InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-3-7-15(8-4-13)21-14-5-1-11(2-6-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1