3-pentylsulfanyl-5-(phenoxyamino)benzoic acid

Systemtic Name: 3-pentylsulfanyl-5-(phenoxyamino)benzoic acid Openeye Name: 3-pentylsulfanyl-5-(phenoxyamino)benzoic acid CAS Name: 3-(pentylthio)-5-(phenoxyamino)benzoic acid IUPAC Name: 3-pentylsulfanyl-5-(phenoxyamino)benzoic acid Traditional Name: 3-(amylthio)-5-(phenoxyamino)benzoic acid Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=CC(=C1)NOC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCSC1=CC(=CC(=C1)NOC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-2-3-7-10-23-17-12-14(18(20)21)11-15(13-17)19-22-16-8-5-4-6-9-16/h4-6,8-9,11-13,19H,2-3,7,10H2,1H3,(H,20,21)