[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=C(C=CS1)C#N)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=C(C=CS1)C#N)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H18N4O4S/c1-11(20-18(25)21-14-6-4-3-5-7-14)17(24)26-12(2)15(23)22-16-13(10-19)8-9-27-16/h3-9,11-12H,1-2H3,(H,22,23)(H2,20,21,25)/t11-,12+/m0/s1