3-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(2-naphthylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(2-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(2-naphthylmethylthio)acetyl]amino]benzoic acid Formula: C20H17NO3S MolecularWeight: 351.41888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H17NO3S/c22-19(21-18-7-3-6-17(11-18)20(23)24)13-25-12-14-8-9-15-4-1-2-5-16(15)10-14/h1-11H,12-13H2,(H,21,22)(H,23,24)