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

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[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] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(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)NC1=C(C=CS1)C#N)OC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-12(16(24)22-17-13(11-19)8-10-27-17)26-15(23)7-9-20-18(25)21-14-5-3-2-4-6-14/h2-6,8,10,12H,7,9H2,1H3,(H,22,24)(H2,20,21,25)/t12-/m1/s1