(2-azanyl-2-oxidanylidene-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H14N2O3S/c18-9-12-5-7-13(8-6-12)11-23-15-4-2-1-3-14(15)17(21)22-10-16(19)20/h1-8H,10-11H2,(H2,19,20)