(2S)-2-[(3-cyanophenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-cyanoanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-cyanophenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NC1=CC=CC(=C1)C#N

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H15N3O3S/c1-20-6-5-11(12(17)18)16-13(19)15-10-4-2-3-9(7-10)8-14/h2-4,7,11H,5-6H2,1H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1