(2R)-2-[(4-cyanophenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(4-cyanophenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(4-cyanophenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-cyanoanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(4-cyanophenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-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=C(C=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-20-7-6-11(12(17)18)16-13(19)15-10-4-2-9(8-14)3-5-10/h2-5,11H,6-7H2,1H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m1/s1