3-azanyl-5-(2-methylpropylsulfanyl)-4-phenoxy-benzoic acid

Systemtic Name: 3-azanyl-5-(2-methylpropylsulfanyl)-4-phenoxy-benzoic acid Openeye Name: 3-amino-5-isobutylsulfanyl-4-phenoxy-benzoic acid CAS Name: 3-amino-5-(2-methylpropylthio)-4-phenoxybenzoic acid IUPAC Name: 3-amino-5-(2-methylpropylsulfanyl)-4-phenoxybenzoic acid Traditional Name: 3-amino-5-(isobutylthio)-4-phenoxy-benzoic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC(=CC(=C1OC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(C)CSC1=CC(=CC(=C1OC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C17H19NO3S/c1-11(2)10-22-15-9-12(17(19)20)8-14(18)16(15)21-13-6-4-3-5-7-13/h3-9,11H,10,18H2,1-2H3,(H,19,20)