[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-16-8-9-19(12-17(16)2)13-21(24)25-14-20(23)22-10-11-26-15-18-6-4-3-5-7-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,23)