[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 2-methoxybenzoate

Systemtic Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 2-methoxybenzoate Openeye Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

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