[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)O

InChI

InChI=1S/C19H21NO4S/c1-14-7-8-16(17(21)11-14)19(23)24-12-18(22)20-9-10-25-13-15-5-3-2-4-6-15/h2-8,11,21H,9-10,12-13H2,1H3,(H,20,22)