[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C18H17N3O4S/c19-9-11-21(14-5-2-1-3-6-14)16(22)13-25-17(23)8-10-20-18(24)15-7-4-12-26-15/h1-7,12H,8,10-11,13H2,(H,20,24)