2-[4-(7-ethylsulfinylheptanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 2-[4-(7-ethylsulfinylheptanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[4-(7-ethylsulfinylheptanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[4-[(7-ethylsulfinyl-1-oxoheptyl)amino]phenyl]thio]butanoic acid IUPAC Name: 2-[4-(7-ethylsulfinylheptanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[[4-(7-ethylsulfinylheptanoylamino)phenyl]thio]butyric acid Formula: C19H29NO4S2 MolecularWeight: 399.56786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=C(C=C1)NC(=O)CCCCCCS(=O)CC

Isomeric SMILES

CCC(C(=O)O)SC1=CC=C(C=C1)NC(=O)CCCCCCS(=O)CC

InChI

InChI=1S/C19H29NO4S2/c1-3-17(19(22)23)25-16-12-10-15(11-13-16)20-18(21)9-7-5-6-8-14-26(24)4-2/h10-13,17H,3-9,14H2,1-2H3,(H,20,21)(H,22,23)