methyl 3-[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]phenoxy]benzoate

Systemtic Name: methyl 3-[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]phenoxy]benzoate Openeye Name: methyl 3-[4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]phenoxy]benzoate CAS Name: 3-[4-[[(2R)-2-amino-3-mercaptopropyl]amino]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]phenoxy]benzoate Traditional Name: 3-[4-[[(2R)-2-amino-3-mercapto-propyl]amino]phenoxy]benzoic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-21-17(20)12-3-2-4-16(9-12)22-15-7-5-14(6-8-15)19-10-13(18)11-23/h2-9,13,19,23H,10-11,18H2,1H3/t13-/m1/s1