2-[[2-[(4-hydroxyphenyl)methyl]-3-sulfanyl-propanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-hydroxyphenyl)methyl]-3-sulfanyl-propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[(4-hydroxyphenyl)methyl]-3-sulfanyl-propanoyl]anilino)acetic acid CAS Name: 2-(N-[2-[(4-hydroxyphenyl)methyl]-3-mercapto-1-oxopropyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(4-hydroxyphenyl)methyl]-3-sulfanylpropanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-(4-hydroxybenzyl)-3-mercapto-propanoyl]anilino)acetic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)O)CS

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)O)CS

InChI

InChI=1S/C18H19NO4S/c20-16-8-6-13(7-9-16)10-14(12-24)18(23)19(11-17(21)22)15-4-2-1-3-5-15/h1-9,14,20,24H,10-12H2,(H,21,22)