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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CS2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CS2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H18N2O3S2/c23-12-16-7-9-17(10-8-16)15-29-20-6-2-1-5-19(20)22(26)27-14-21(25)24-13-18-4-3-11-28-18/h1-11H,13-15H2,(H,24,25)