S-[2-(butanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate

Systemtic Name: S-[2-(butanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate Openeye Name: S-[2-(butanoylamino)ethyl] 3-hydroxy-2-methyl-hexanethioate CAS Name: 3-hydroxy-2-methylhexanethioic acid S-[2-(1-oxobutylamino)ethyl] ester IUPAC Name: S-[2-(butanoylamino)ethyl] 3-hydroxy-2-methylhexanethioate Traditional Name: 3-hydroxy-2-methyl-hexanethioic acid S-(2-butyramidoethyl) ester Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C(=O)SCCNC(=O)CCC)O

Isomeric SMILES

CCCC(C(C)C(=O)SCCNC(=O)CCC)O

InChI

InChI=1S/C13H25NO3S/c1-4-6-11(15)10(3)13(17)18-9-8-14-12(16)7-5-2/h10-11,15H,4-9H2,1-3H3,(H,14,16)