(3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoic acid

Systemtic Name: (3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoic acid Openeye Name: (3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoic acid CAS Name: (3E)-3-ethoxyimino-2-[[4-[2-(phenylthio)ethoxy]phenyl]methyl]butanoic acid IUPAC Name: (3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoic acid Traditional Name: (3E)-3-ethyloximino-2-[4-[2-(phenylthio)ethoxy]benzyl]butyric acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C)C(CC1=CC=C(C=C1)OCCSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCO/N=C(\C)/C(CC1=CC=C(C=C1)OCCSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25NO4S/c1-3-26-22-16(2)20(21(23)24)15-17-9-11-18(12-10-17)25-13-14-27-19-7-5-4-6-8-19/h4-12,20H,3,13-15H2,1-2H3,(H,23,24)/b22-16+