2-methylpropyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-methylpropyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: isobutyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid isobutyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

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