6-azanyl-3-methyl-6-[4-(2-methylsulfanylethoxy)-2-prop-2-enyl-phenoxy]-5-oxidanyl-hexanamide

Systemtic Name: 6-azanyl-3-methyl-6-[4-(2-methylsulfanylethoxy)-2-prop-2-enyl-phenoxy]-5-oxidanyl-hexanamide Openeye Name: 6-[2-allyl-4-(2-methylsulfanylethoxy)phenoxy]-6-amino-5-hydroxy-3-methyl-hexanamide CAS Name: 6-amino-5-hydroxy-3-methyl-6-[4-[2-(methylthio)ethoxy]-2-prop-2-enylphenoxy]hexanamide IUPAC Name: 6-amino-5-hydroxy-3-methyl-6-[4-(2-methylsulfanylethoxy)-2-prop-2-enylphenoxy]hexanamide Traditional Name: 6-[2-allyl-4-[2-(methylthio)ethoxy]phenoxy]-6-amino-5-hydroxy-3-methyl-hexanamide Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(N)OC1=C(C=C(C=C1)OCCSC)CC=C)O)CC(=O)N

Isomeric SMILES

CC(CC(C(N)OC1=C(C=C(C=C1)OCCSC)CC=C)O)CC(=O)N

InChI

InChI=1S/C19H30N2O4S/c1-4-5-14-12-15(24-8-9-26-3)6-7-17(14)25-19(21)16(22)10-13(2)11-18(20)23/h4,6-7,12-13,16,19,22H,1,5,8-11,21H2,2-3H3,(H2,20,23)