3-azanyl-5-butan-2-ylsulfanyl-4-phenoxy-benzoic acid

Systemtic Name: 3-azanyl-5-butan-2-ylsulfanyl-4-phenoxy-benzoic acid Openeye Name: 3-amino-4-phenoxy-5-sec-butylsulfanyl-benzoic acid CAS Name: 3-amino-5-(butan-2-ylthio)-4-phenoxybenzoic acid IUPAC Name: 3-amino-5-butan-2-ylsulfanyl-4-phenoxybenzoic acid Traditional Name: 3-amino-4-phenoxy-5-(sec-butylthio)benzoic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC(=CC(=C1OC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CCC(C)SC1=CC(=CC(=C1OC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C17H19NO3S/c1-3-11(2)22-15-10-12(17(19)20)9-14(18)16(15)21-13-7-5-4-6-8-13/h4-11H,3,18H2,1-2H3,(H,19,20)