ethyl (2S)-2-[(phenylmethyl)amino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2S)-2-[(phenylmethyl)amino]-3-sulfanyl-propanoate Openeye Name: ethyl (2S)-2-(benzylamino)-3-sulfanyl-propanoate CAS Name: (2S)-3-mercapto-2-[(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(benzylamino)-3-sulfanylpropanoate Traditional Name: (2S)-2-(benzylamino)-3-mercapto-propionic acid ethyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@@H](CS)NCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2S/c1-2-15-12(14)11(9-16)13-8-10-6-4-3-5-7-10/h3-7,11,13,16H,2,8-9H2,1H3/t11-/m1/s1