3-azanyl-5-(3-methylbutylsulfanyl)-4-phenoxy-benzoic acid

Systemtic Name: 3-azanyl-5-(3-methylbutylsulfanyl)-4-phenoxy-benzoic acid Openeye Name: 3-amino-5-isopentylsulfanyl-4-phenoxy-benzoic acid CAS Name: 3-amino-5-(3-methylbutylthio)-4-phenoxybenzoic acid IUPAC Name: 3-amino-5-(3-methylbutylsulfanyl)-4-phenoxybenzoic acid Traditional Name: 3-amino-5-(isoamylthio)-4-phenoxy-benzoic acid Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC(=CC(=C1OC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(C)CCSC1=CC(=CC(=C1OC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-12(2)8-9-23-16-11-13(18(20)21)10-15(19)17(16)22-14-6-4-3-5-7-14/h3-7,10-12H,8-9,19H2,1-2H3,(H,20,21)