2-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(1-methylhexylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(heptan-2-ylamino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(1-methylhexylamino)ethyl]thio]acetic acid Formula: C11H21NO3S MolecularWeight: 247.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSCC(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)CSCC(=O)O

InChI

InChI=1S/C11H21NO3S/c1-3-4-5-6-9(2)12-10(13)7-16-8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)