2-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(1,4-dimethylpentylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(1,4-dimethylpentylamino)-2-keto-ethyl]thio]acetic acid Formula: C11H21NO3S MolecularWeight: 247.35434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSCC(=O)O

Isomeric SMILES

CC(C)CCC(C)NC(=O)CSCC(=O)O

InChI

InChI=1S/C11H21NO3S/c1-8(2)4-5-9(3)12-10(13)6-16-7-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)