methyl (2R)-2-cyano-3-phenylazanyl-3-sulfanylidene-propanoate

Systemtic Name: methyl (2R)-2-cyano-3-phenylazanyl-3-sulfanylidene-propanoate Openeye Name: methyl (2R)-3-anilino-2-cyano-3-thioxo-propanoate CAS Name: (2R)-3-anilino-2-cyano-3-sulfanylidenepropanoic acid methyl ester IUPAC Name: methyl (2R)-3-anilino-2-cyano-3-sulfanylidenepropanoate Traditional Name: (2R)-3-anilino-2-cyano-3-thioxo-propionic acid methyl ester Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C(=S)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@@H](C#N)C(=S)NC1=CC=CC=C1

InChI

InChI=1S/C11H10N2O2S/c1-15-11(14)9(7-12)10(16)13-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,13,16)/t9-/m0/s1