3-azanyl-4-phenoxy-5-prop-2-enylsulfanyl-benzoic acid

Systemtic Name: 3-azanyl-4-phenoxy-5-prop-2-enylsulfanyl-benzoic acid Openeye Name: 3-allylsulfanyl-5-amino-4-phenoxy-benzoic acid CAS Name: 3-amino-4-phenoxy-5-(prop-2-enylthio)benzoic acid IUPAC Name: 3-amino-4-phenoxy-5-prop-2-enylsulfanylbenzoic acid Traditional Name: 3-(allylthio)-5-amino-4-phenoxy-benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-2-8-21-14-10-11(16(18)19)9-13(17)15(14)20-12-6-4-3-5-7-12/h2-7,9-10H,1,8,17H2,(H,18,19)