4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[(4-methoxyphenyl)thio]propanoylamino]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H17NO4S/c1-11(23-15-9-7-14(22-2)8-10-15)16(19)18-13-5-3-12(4-6-13)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)