[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO5S/c1-13-5-3-4-6-18(13)27-11-19(22)26-14(2)20(23)21-10-15-7-8-16-17(9-15)25-12-24-16/h3-9,14H,10-12H2,1-2H3,(H,21,23)