O-ethyl 2-(octan-4-ylamino)ethanethioate

Systemtic Name: O-ethyl 2-(octan-4-ylamino)ethanethioate Openeye Name: O-ethyl 2-(1-propylpentylamino)ethanethioate CAS Name: 2-(octan-4-ylamino)ethanethioic acid O-ethyl ester IUPAC Name: O-ethyl 2-(octan-4-ylamino)ethanethioate Traditional Name: 2-(1-propylpentylamino)ethanethioic acid O-ethyl ester Formula: C12H25NOS MolecularWeight: 231.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)NCC(=S)OCC

Isomeric SMILES

CCCCC(CCC)NCC(=S)OCC

InChI

InChI=1S/C12H25NOS/c1-4-7-9-11(8-5-2)13-10-12(15)14-6-3/h11,13H,4-10H2,1-3H3