2-[(2-azanyl-4-chloranyl-5-methoxy-phenyl)sulfanylmethyl]-2-ethyl-hexanoic acid

Systemtic Name: 2-[(2-azanyl-4-chloranyl-5-methoxy-phenyl)sulfanylmethyl]-2-ethyl-hexanoic acid Openeye Name: 2-[(2-amino-4-chloro-5-methoxy-phenyl)sulfanylmethyl]-2-ethyl-hexanoic acid CAS Name: 2-[[(2-amino-4-chloro-5-methoxyphenyl)thio]methyl]-2-ethylhexanoic acid IUPAC Name: 2-[(2-amino-4-chloro-5-methoxyphenyl)sulfanylmethyl]-2-ethylhexanoic acid Traditional Name: 2-[[(2-amino-4-chloro-5-methoxy-phenyl)thio]methyl]-2-ethyl-hexanoic acid Formula: C16H24ClNO3S MolecularWeight: 345.88466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=CC(=C(C=C1N)Cl)OC)C(=O)O

Isomeric SMILES

CCCCC(CC)(CSC1=CC(=C(C=C1N)Cl)OC)C(=O)O

InChI

InChI=1S/C16H24ClNO3S/c1-4-6-7-16(5-2,15(19)20)10-22-14-9-13(21-3)11(17)8-12(14)18/h8-9H,4-7,10,18H2,1-3H3,(H,19,20)