(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H16N2O4S/c19-10-9-17(22)20-14-7-5-13(6-8-14)18(23)24-11-1-3-15(21)16-4-2-12-25-16/h2,4-8,12H,1,3,9,11H2,(H,20,22)