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

Systemtic Name: 2-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfanylacetic acid CAS Name: 2-[[1-oxo-1-(propylamino)propan-2-yl]thio]acetic acid IUPAC Name: 2-[1-oxo-1-(propylamino)propan-2-yl]sulfanylacetic acid Traditional Name: 2-[[2-keto-1-methyl-2-(propylamino)ethyl]thio]acetic acid Formula: C8H15NO3S MolecularWeight: 205.2746

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SCC(=O)O

Isomeric SMILES

CCCNC(=O)C(C)SCC(=O)O

InChI

InChI=1S/C8H15NO3S/c1-3-4-9-8(12)6(2)13-5-7(10)11/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)