2-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-methyl-2-oxo-2-(sec-butylamino)ethyl]sulfanylacetic acid CAS Name: 2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[[2-keto-1-methyl-2-(sec-butylamino)ethyl]thio]acetic acid Formula: C9H17NO3S MolecularWeight: 219.30118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)SCC(=O)O

Isomeric SMILES

CCC(C)NC(=O)C(C)SCC(=O)O

InChI

InChI=1S/C9H17NO3S/c1-4-6(2)10-9(13)7(3)14-5-8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)