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

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-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-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)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-(p-anisylamino)ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO6S/c1-24-15-4-2-14(3-5-15)11-21-19(22)12-27-20(23)13-28-16-6-7-17-18(10-16)26-9-8-25-17/h2-7,10H,8-9,11-13H2,1H3,(H,21,22)