[4-(2-cyanophenyl)phenyl]methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid [4-(2-cyanophenyl)benzyl] ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H24N2O4S/c1-31-15-14-28-25(29)18-33-24-9-5-4-8-23(24)26(30)32-17-19-10-12-20(13-11-19)22-7-3-2-6-21(22)16-27/h2-13H,14-15,17-18H2,1H3,(H,28,29)