[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-methylbenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-15-7-9-17(10-8-15)19(22)23-13-18(21)20-11-12-24-14-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)