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

Systemtic Name: ethyl (2S)-2-cyano-3-[(phenylmethyl)amino]-3-sulfanylidene-propanoate Openeye Name: ethyl (2S)-3-(benzylamino)-2-cyano-3-thioxo-propanoate CAS Name: (2S)-2-cyano-3-[(phenylmethyl)amino]-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(benzylamino)-2-cyano-3-sulfanylidenepropanoate Traditional Name: (2S)-3-(benzylamino)-2-cyano-3-thioxo-propionic acid ethyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H14N2O2S/c1-2-17-13(16)11(8-14)12(18)15-9-10-6-4-3-5-7-10/h3-7,11H,2,9H2,1H3,(H,15,18)/t11-/m1/s1