[(phenylmethyl)amino] 5-sulfanylidenepentanoate

Systemtic Name: [(phenylmethyl)amino] 5-sulfanylidenepentanoate Openeye Name: (benzylamino) 5-thioxopentanoate CAS Name: 5-sulfanylidenepentanoic acid [(phenylmethyl)amino] ester IUPAC Name: (benzylamino) 5-sulfanylidenepentanoate Traditional Name: 5-thioxovaleric acid (benzylamino) ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNOC(=O)CCCC=S

Isomeric SMILES

C1=CC=C(C=C1)CNOC(=O)CCCC=S

InChI

InChI=1S/C12H15NO2S/c14-12(8-4-5-9-16)15-13-10-11-6-2-1-3-7-11/h1-3,6-7,9,13H,4-5,8,10H2