[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

InChI

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