2-[2-(methylamino)-3-oxidanylidene-butyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(methylamino)-3-oxidanylidene-butyl]sulfanylethanoic acid Openeye Name: 2-[2-(methylamino)-3-oxo-butyl]sulfanylacetic acid CAS Name: 2-[[2-(methylamino)-3-oxobutyl]thio]acetic acid IUPAC Name: 2-[2-(methylamino)-3-oxobutyl]sulfanylacetic acid Traditional Name: 2-[[3-keto-2-(methylamino)butyl]thio]acetic acid Formula: C7H13NO3S MolecularWeight: 191.24802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO3S/c1-5(9)6(8-2)3-12-4-7(10)11/h6,8H,3-4H2,1-2H3,(H,10,11)