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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-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=CSC(=C1)C(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CSC(=C1)C(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

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