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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-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=CC(=C1O)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

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