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

Systemtic Name: (4-cyanophenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-cyanophenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (4-cyanobenzyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-25-11-10-22-19(23)14-27-18-5-3-2-4-17(18)20(24)26-13-16-8-6-15(12-21)7-9-16/h2-9H,10-11,13-14H2,1H3,(H,22,23)