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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

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