2-butyl-6-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-5-oxidanyl-hexanoate

Systemtic Name: 2-butyl-6-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-5-oxidanyl-hexanoate Openeye Name: 2-butyl-5-hydroxy-6-[3-[(3-methoxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-hexanoate CAS Name: 2-butyl-5-hydroxy-6-[[3-[(3-methoxy-1,3-dioxopropyl)amino]phenyl]thio]hexanoate IUPAC Name: 2-butyl-5-hydroxy-6-[3-[(3-methoxy-3-oxopropanoyl)amino]phenyl]sulfanylhexanoate Traditional Name: 2-butyl-5-hydroxy-6-[[3-[(3-keto-3-methoxy-propanoyl)amino]phenyl]thio]hexanoate Formula: C20H28NO6S- MolecularWeight: 410.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(CSC1=CC=CC(=C1)NC(=O)CC(=O)OC)O)C(=O)[O-]

Isomeric SMILES

CCCCC(CCC(CSC1=CC=CC(=C1)NC(=O)CC(=O)OC)O)C(=O)[O-]

InChI

InChI=1S/C20H29NO6S/c1-3-4-6-14(20(25)26)9-10-16(22)13-28-17-8-5-7-15(11-17)21-18(23)12-19(24)27-2/h5,7-8,11,14,16,22H,3-4,6,9-10,12-13H2,1-2H3,(H,21,23)(H,25,26)/p-1