2-[(4-phenoxyphenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-phenoxyphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-phenoxyphenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(4-phenoxyphenyl)methylamino]propanoic acid IUPAC Name: 2-[(4-phenoxyphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(4-phenoxybenzyl)amino]propionic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(CS)C(=O)O

InChI

InChI=1S/C16H17NO3S/c18-16(19)15(11-21)17-10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,15,17,21H,10-11H2,(H,18,19)