3-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)propanoyl]amino]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-23-16-7-5-12(6-8-16)9-14(11-24)17(20)19-15-4-2-3-13(10-15)18(21)22/h2-8,10,14,24H,9,11H2,1H3,(H,19,20)(H,21,22)