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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-2-ylpropanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c18-10-9-13-3-5-14(6-4-13)19-16(20)12-22-17(21)8-7-15-2-1-11-23-15/h1-6,11H,7-9,12H2,(H,19,20)