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

Systemtic Name: 2-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(1-methylbutylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-(pentan-2-ylamino)ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(1-methylbutylamino)ethyl]thio]acetic acid Formula: C9H17NO3S MolecularWeight: 219.30118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSCC(=O)O

Isomeric SMILES

CCCC(C)NC(=O)CSCC(=O)O

InChI

InChI=1S/C9H17NO3S/c1-3-4-7(2)10-8(11)5-14-6-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)