[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [2-[N-(2-cyanoethyl)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(CCC#N)C(=O)COC(=O)CNC(=O)C2=CC=CS2

Isomeric SMILES

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

InChI

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