[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO5S/c1-14-4-2-3-5-15(14)11-21-19(22)12-26-20(23)13-27-16-6-7-17-18(10-16)25-9-8-24-17/h2-7,10H,8-9,11-13H2,1H3,(H,21,22)