[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic 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:

CC1=CC=CC(=C1O)C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

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